REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2vyc_1_G DATA FIRST_RESID 1 DATA SEQUENCE MKVLIVESEF LHQDTWVGNA VERLADALSQ QNVTVIKSTS FDDGFAILSS DATA SEQUENCE NEAIDCLMFS YQMEHPDEHQ NVRQLIGKLH ERQQNVPVFL LGDREKALAA DATA SEQUENCE MDRDLLELVD EFAWILEDTA DFIAGRAVAA MTRYRQQLLP PLFSALMKYS DATA SEQUENCE DIHEYSWAAP GHQGGVGFTK TPAGRFYHDY YGENLFRTDM GIERTSLGSL DATA SEQUENCE LDHTGAFGES EKYAARVFGA DRSWSVVVGT SGSNRTIMQA CMTDNDVVVV DATA SEQUENCE DRNCHKSIEQ GLMLTGAKPV YMVPSRNRYG IIGPIYPQEM QPETLQKKIS DATA SEQUENCE ESPLTKDKAG QKPSYCVVTN CTYDGVCYNA KEAQDLLEKT SDRLHFDEAW DATA SEQUENCE YGYARFNPIY ADHYAMRGEP GDHNGPTVFA THSTHXLLNA LSQASYIHVR DATA SEQUENCE EGRGAINFSR FNQAYMMHAT TSPLYAICAS NDVAVSMMDG NSGLSLTQEV DATA SEQUENCE IDEAVDFRQA MARLYKEFTA DGSWFFKPWN KEVVTDPQTG KTYDFADAPT DATA SEQUENCE KLLTTVQDCW VMHPGESWHG FKDIPDNWSM LDPIKVSILA PGMGEDGELE DATA SEQUENCE ETGVPAALVT AWLGRHGIVP TRTTDFQIMF LFSMGVTRGK WGTLVNTLCS DATA SEQUENCE FKRHYDANTP LAQVMPELVE QYPDTYANMG IHDLGDTMFA WLKENNPGAR DATA SEQUENCE LNEAYSGLPV AEVTPREAYN AIVDNNVELV SIENLPGRIA ANSVIPYPPG DATA SEQUENCE IPMLLSGENF GDKNSPQVSY LRSLQSWDHH FPGFEHETEG TEIIDGIYHV DATA SEQUENCE MCVKA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.308 176.300 0.014 0.000 1.140 1 M CA 0.000 55.319 55.300 0.031 0.000 0.988 1 M CB 0.000 32.614 32.600 0.022 0.000 1.302 2 K N 2.757 123.166 120.400 0.015 0.000 2.471 2 K HA 0.783 5.103 4.320 -0.000 0.000 0.252 2 K C -1.728 174.859 176.600 -0.021 0.000 0.938 2 K CA -0.582 55.703 56.287 -0.003 0.000 0.796 2 K CB 2.244 34.748 32.500 0.008 0.000 1.161 2 K HN 0.518 nan 8.250 nan 0.000 0.425 3 V N 4.772 124.663 119.914 -0.038 0.000 2.459 3 V HA 0.366 4.486 4.120 -0.000 0.000 0.295 3 V C -0.565 175.503 176.094 -0.042 0.000 1.029 3 V CA -1.035 61.232 62.300 -0.054 0.000 0.874 3 V CB 1.396 33.169 31.823 -0.083 0.000 0.985 3 V HN 0.624 nan 8.190 nan 0.000 0.438 4 L N 6.764 127.965 121.223 -0.036 0.000 2.257 4 L HA 0.586 4.926 4.340 -0.000 0.000 0.290 4 L C -0.468 176.388 176.870 -0.023 0.000 1.044 4 L CA 0.340 55.162 54.840 -0.031 0.000 0.810 4 L CB 0.609 42.652 42.059 -0.026 0.000 1.193 4 L HN 0.529 nan 8.230 nan 0.000 0.425 5 I N 6.217 126.767 120.570 -0.033 0.000 2.330 5 I HA 0.309 4.478 4.170 -0.000 0.000 0.289 5 I C -0.661 175.429 176.117 -0.045 0.000 1.001 5 I CA -0.817 60.468 61.300 -0.025 0.000 1.193 5 I CB 1.600 39.579 38.000 -0.036 0.000 1.345 5 I HN 0.246 nan 8.210 nan 0.000 0.461 6 V N 6.473 126.362 119.914 -0.041 0.000 2.333 6 V HA 0.198 4.317 4.120 -0.000 0.000 0.274 6 V C 0.256 176.239 176.094 -0.185 0.000 1.028 6 V CA -0.629 61.577 62.300 -0.156 0.000 0.851 6 V CB 1.049 32.723 31.823 -0.248 0.000 1.000 6 V HN 0.674 nan 8.190 nan 0.000 0.456 7 E N 2.776 122.875 120.200 -0.168 0.000 2.105 7 E HA 0.192 4.542 4.350 -0.000 0.000 0.285 7 E C 0.165 176.622 176.600 -0.239 0.000 1.055 7 E CA -0.114 56.229 56.400 -0.095 0.000 0.843 7 E CB 1.190 30.925 29.700 0.058 0.000 1.067 7 E HN 0.644 nan 8.360 nan 0.000 0.398 8 S N 3.252 118.782 115.700 -0.284 0.000 2.544 8 S HA -0.072 4.398 4.470 -0.000 0.000 0.290 8 S C 1.473 175.822 174.600 -0.419 0.000 1.276 8 S CA -0.427 57.602 58.200 -0.286 0.000 1.075 8 S CB 0.487 63.831 63.200 0.240 0.000 0.849 8 S HN 0.561 nan 8.310 nan 0.000 0.494 9 E N 5.139 125.039 120.200 -0.500 0.000 2.265 9 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 9 E C 0.926 177.164 176.600 -0.604 0.000 0.996 9 E CA 1.342 57.207 56.400 -0.892 0.000 0.832 9 E CB -0.514 28.875 29.700 -0.519 0.000 0.756 9 E HN 0.852 nan 8.360 nan 0.000 0.491 10 F N 0.512 120.335 119.950 -0.211 0.000 2.802 10 F HA 0.153 4.680 4.527 -0.000 0.000 0.300 10 F C 1.686 177.427 175.800 -0.099 0.000 1.168 10 F CA 0.549 58.486 58.000 -0.104 0.000 1.433 10 F CB 0.138 39.133 39.000 -0.008 0.000 1.115 10 F HN -0.065 nan 8.300 nan 0.000 0.582 11 L N -1.669 119.536 121.223 -0.029 0.000 3.135 11 L HA 0.165 4.505 4.340 -0.000 0.000 0.279 11 L C 1.408 178.238 176.870 -0.067 0.000 1.200 11 L CA -0.095 54.713 54.840 -0.053 0.000 1.016 11 L CB -0.280 41.760 42.059 -0.031 0.000 1.391 11 L HN -0.006 nan 8.230 nan 0.000 0.588 12 H N 1.255 120.254 119.070 -0.118 0.000 2.422 12 H HA -0.163 4.393 4.556 -0.000 0.000 0.298 12 H C 2.190 177.420 175.328 -0.163 0.000 1.098 12 H CA 1.544 57.507 56.048 -0.142 0.000 1.315 12 H CB 0.056 29.743 29.762 -0.125 0.000 1.382 12 H HN 0.460 nan 8.280 nan 0.000 0.523 13 Q N 1.069 120.849 119.800 -0.034 0.000 2.226 13 Q HA -0.104 4.235 4.340 -0.000 0.000 0.204 13 Q C -0.362 175.506 176.000 -0.220 0.000 0.975 13 Q CA 1.074 56.828 55.803 -0.081 0.000 0.866 13 Q CB -0.214 28.499 28.738 -0.041 0.000 0.915 13 Q HN 0.265 nan 8.270 nan 0.000 0.440 14 D N 2.571 122.720 120.400 -0.419 0.000 2.494 14 D HA 0.076 4.716 4.640 -0.000 0.000 0.217 14 D C 0.763 176.434 176.300 -1.049 0.000 1.153 14 D CA 0.365 53.698 54.000 -1.112 0.000 0.954 14 D CB 1.164 41.261 40.800 -1.171 0.000 1.034 14 D HN 0.328 nan 8.370 nan 0.000 0.518 15 T N -1.215 112.989 114.554 -0.583 0.000 2.881 15 T HA -0.201 4.149 4.350 -0.000 0.000 0.270 15 T C 1.837 176.474 174.700 -0.104 0.000 1.068 15 T CA 0.589 62.566 62.100 -0.206 0.000 1.131 15 T CB -0.504 68.359 68.868 -0.008 0.000 0.871 15 T HN 0.625 nan 8.240 nan 0.000 0.479 16 W N 1.496 122.811 121.300 0.024 0.000 2.421 16 W HA 0.183 4.842 4.660 -0.000 0.000 0.270 16 W C 1.548 178.085 176.519 0.030 0.000 1.233 16 W CA 0.066 57.424 57.345 0.022 0.000 1.226 16 W CB -1.002 28.471 29.460 0.022 0.000 1.121 16 W HN 0.025 nan 8.180 nan 0.000 0.579 17 V N 2.441 122.178 119.914 -0.296 0.000 2.270 17 V HA -0.183 3.936 4.120 -0.000 0.000 0.245 17 V C 2.653 178.721 176.094 -0.043 0.000 1.043 17 V CA 2.338 64.559 62.300 -0.133 0.000 1.014 17 V CB -1.544 30.152 31.823 -0.212 0.000 0.645 17 V HN 0.450 nan 8.190 nan 0.000 0.447 18 G N -0.067 108.688 108.800 -0.075 0.000 2.440 18 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 18 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 18 G C 1.361 176.253 174.900 -0.014 0.000 1.154 18 G CA 1.239 46.312 45.100 -0.045 0.000 0.767 18 G HN 0.633 nan 8.290 nan 0.000 0.552 19 N N 0.908 119.617 118.700 0.016 0.000 2.061 19 N HA -0.103 4.637 4.740 -0.000 0.000 0.193 19 N C 2.484 178.020 175.510 0.043 0.000 1.030 19 N CA 1.089 54.164 53.050 0.041 0.000 0.856 19 N CB -0.190 38.350 38.487 0.088 0.000 1.023 19 N HN 0.369 nan 8.380 nan 0.000 0.424 20 A N 0.566 123.426 122.820 0.066 0.000 1.969 20 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 20 A C 2.344 179.947 177.584 0.032 0.000 1.169 20 A CA 0.885 52.959 52.037 0.062 0.000 0.635 20 A CB -0.427 18.635 19.000 0.104 0.000 0.810 20 A HN 0.105 nan 8.150 nan 0.000 0.445 21 V N -0.340 119.585 119.914 0.018 0.000 2.379 21 V HA -0.226 3.893 4.120 -0.000 0.000 0.245 21 V C 2.376 178.461 176.094 -0.014 0.000 1.044 21 V CA 2.113 64.413 62.300 -0.001 0.000 1.036 21 V CB -0.694 31.124 31.823 -0.008 0.000 0.664 21 V HN 0.658 nan 8.190 nan 0.000 0.453 22 E N 0.118 120.309 120.200 -0.015 0.000 2.048 22 E HA -0.273 4.077 4.350 -0.000 0.000 0.202 22 E C 2.510 179.099 176.600 -0.019 0.000 1.021 22 E CA 1.763 58.150 56.400 -0.021 0.000 0.825 22 E CB -0.145 29.544 29.700 -0.018 0.000 0.756 22 E HN 0.448 nan 8.360 nan 0.000 0.454 23 R N -0.096 120.398 120.500 -0.010 0.000 2.117 23 R HA -0.198 4.141 4.340 -0.000 0.000 0.243 23 R C 2.505 178.790 176.300 -0.025 0.000 1.143 23 R CA 1.256 57.347 56.100 -0.016 0.000 0.968 23 R CB -0.413 29.882 30.300 -0.008 0.000 0.863 23 R HN 0.212 nan 8.270 nan 0.000 0.444 24 L N 0.527 121.736 121.223 -0.023 0.000 2.072 24 L HA -0.013 4.326 4.340 -0.000 0.000 0.205 24 L C 2.254 179.097 176.870 -0.045 0.000 1.079 24 L CA 1.890 56.709 54.840 -0.034 0.000 0.752 24 L CB -0.669 41.372 42.059 -0.030 0.000 0.906 24 L HN 0.085 nan 8.230 nan 0.000 0.436 25 A N -0.556 122.239 122.820 -0.041 0.000 1.908 25 A HA -0.303 4.017 4.320 -0.000 0.000 0.218 25 A C 2.081 179.641 177.584 -0.040 0.000 1.181 25 A CA 2.018 54.029 52.037 -0.044 0.000 0.627 25 A CB -1.119 17.857 19.000 -0.040 0.000 0.818 25 A HN 0.605 nan 8.150 nan 0.000 0.445 26 D N -0.255 120.125 120.400 -0.034 0.000 2.092 26 D HA -0.067 4.573 4.640 -0.000 0.000 0.193 26 D C 2.062 178.342 176.300 -0.033 0.000 0.994 26 D CA 1.896 55.878 54.000 -0.031 0.000 0.828 26 D CB -0.296 40.487 40.800 -0.027 0.000 0.963 26 D HN 0.335 nan 8.370 nan 0.000 0.450 27 A N -0.035 122.762 122.820 -0.037 0.000 1.978 27 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 27 A C 2.469 180.031 177.584 -0.037 0.000 1.170 27 A CA 1.145 53.159 52.037 -0.038 0.000 0.636 27 A CB -0.822 18.151 19.000 -0.045 0.000 0.810 27 A HN 0.401 nan 8.150 nan 0.000 0.448 28 L N -0.970 120.226 121.223 -0.045 0.000 2.056 28 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 28 L C 2.873 179.720 176.870 -0.037 0.000 1.078 28 L CA 1.347 56.157 54.840 -0.051 0.000 0.749 28 L CB -0.312 41.706 42.059 -0.069 0.000 0.901 28 L HN 0.331 nan 8.230 nan 0.000 0.433 29 S N -0.571 115.109 115.700 -0.033 0.000 2.368 29 S HA -0.242 4.228 4.470 -0.000 0.000 0.225 29 S C 1.855 176.443 174.600 -0.020 0.000 1.030 29 S CA 1.226 59.410 58.200 -0.026 0.000 0.999 29 S CB -0.176 63.008 63.200 -0.025 0.000 0.844 29 S HN 0.448 nan 8.310 nan 0.000 0.459 30 Q N 0.496 120.284 119.800 -0.020 0.000 2.297 30 Q HA -0.061 4.279 4.340 -0.000 0.000 0.208 30 Q C 1.361 177.354 176.000 -0.011 0.000 0.981 30 Q CA 0.864 56.658 55.803 -0.015 0.000 0.876 30 Q CB -0.072 28.657 28.738 -0.016 0.000 0.921 30 Q HN 0.574 nan 8.270 nan 0.000 0.446 31 Q N 0.137 119.929 119.800 -0.014 0.000 2.204 31 Q HA 0.075 4.415 4.340 -0.000 0.000 0.209 31 Q C -0.449 175.546 176.000 -0.009 0.000 0.861 31 Q CA -0.282 55.515 55.803 -0.009 0.000 0.971 31 Q CB 0.325 29.057 28.738 -0.010 0.000 1.095 31 Q HN 0.275 nan 8.270 nan 0.000 0.486 32 N N 0.043 118.736 118.700 -0.011 0.000 2.758 32 N HA -0.154 4.586 4.740 -0.000 0.000 0.248 32 N C -1.661 173.843 175.510 -0.010 0.000 1.076 32 N CA 0.267 53.312 53.050 -0.009 0.000 0.696 32 N CB -1.021 37.464 38.487 -0.004 0.000 0.979 32 N HN 0.029 nan 8.380 nan 0.000 0.550 33 V N 0.830 120.733 119.914 -0.017 0.000 2.459 33 V HA 0.411 4.531 4.120 -0.000 0.000 0.295 33 V C 0.712 176.792 176.094 -0.023 0.000 1.029 33 V CA -0.564 61.724 62.300 -0.021 0.000 0.874 33 V CB 1.819 33.621 31.823 -0.034 0.000 0.985 33 V HN 0.261 nan 8.190 nan 0.000 0.438 34 T N 4.778 119.321 114.554 -0.018 0.000 2.779 34 T HA 0.364 4.714 4.350 -0.000 0.000 0.296 34 T C -0.093 174.591 174.700 -0.026 0.000 0.938 34 T CA -0.067 62.022 62.100 -0.019 0.000 1.119 34 T CB 0.866 69.727 68.868 -0.012 0.000 0.891 34 T HN 0.377 nan 8.240 nan 0.000 0.526 35 V N 5.828 125.724 119.914 -0.030 0.000 2.370 35 V HA 0.419 4.539 4.120 -0.000 0.000 0.283 35 V C 0.155 176.228 176.094 -0.034 0.000 1.023 35 V CA -0.781 61.497 62.300 -0.037 0.000 0.857 35 V CB 1.202 33.000 31.823 -0.042 0.000 0.985 35 V HN 0.782 nan 8.190 nan 0.000 0.443 36 I N 5.380 125.928 120.570 -0.035 0.000 2.321 36 I HA 0.398 4.568 4.170 -0.000 0.000 0.291 36 I C 0.226 176.317 176.117 -0.043 0.000 0.998 36 I CA -0.503 60.776 61.300 -0.036 0.000 1.227 36 I CB 1.133 39.114 38.000 -0.031 0.000 1.368 36 I HN 0.467 nan 8.210 nan 0.000 0.466 37 K N 4.572 124.944 120.400 -0.047 0.000 2.183 37 K HA 0.467 4.787 4.320 -0.000 0.000 0.274 37 K C -0.478 176.084 176.600 -0.064 0.000 1.009 37 K CA -0.342 55.912 56.287 -0.055 0.000 0.888 37 K CB 1.947 34.414 32.500 -0.055 0.000 1.078 37 K HN 0.519 nan 8.250 nan 0.000 0.459 38 S N 0.830 116.484 115.700 -0.077 0.000 2.526 38 S HA 0.316 4.785 4.470 -0.000 0.000 0.293 38 S C 0.287 174.824 174.600 -0.105 0.000 1.092 38 S CA -0.630 57.511 58.200 -0.097 0.000 0.980 38 S CB 1.187 64.314 63.200 -0.121 0.000 1.048 38 S HN 0.660 nan 8.310 nan 0.000 0.483 39 T N -0.145 114.356 114.554 -0.088 0.000 3.132 39 T HA 0.425 4.775 4.350 -0.000 0.000 0.274 39 T C 0.076 174.789 174.700 0.022 0.000 1.011 39 T CA 0.059 62.154 62.100 -0.008 0.000 0.899 39 T CB -0.467 68.367 68.868 -0.057 0.000 1.089 39 T HN 0.811 nan 8.240 nan 0.000 0.543 40 S N -0.615 114.990 115.700 -0.158 0.000 2.537 40 S HA 0.577 5.047 4.470 -0.000 0.000 0.271 40 S C -0.066 174.292 174.600 -0.403 0.000 1.148 40 S CA -0.870 57.186 58.200 -0.240 0.000 0.868 40 S CB 0.430 63.554 63.200 -0.126 0.000 1.115 40 S HN -0.095 nan 8.310 nan 0.000 0.461 41 F N 1.565 121.303 119.950 -0.354 0.000 2.154 41 F HA -0.093 4.434 4.527 -0.000 0.000 0.301 41 F C 2.284 177.240 175.800 -1.407 0.000 1.087 41 F CA 1.746 59.285 58.000 -0.769 0.000 1.274 41 F CB -0.379 38.241 39.000 -0.633 0.000 1.009 41 F HN 0.659 nan 8.300 nan 0.000 0.485 42 D N -0.136 119.887 120.400 -0.628 0.000 2.117 42 D HA -0.193 4.447 4.640 -0.000 0.000 0.197 42 D C 1.789 177.990 176.300 -0.164 0.000 0.987 42 D CA 1.656 55.474 54.000 -0.303 0.000 0.829 42 D CB -0.367 40.441 40.800 0.013 0.000 0.961 42 D HN 0.308 nan 8.370 nan 0.000 0.460 43 D N 0.349 120.645 120.400 -0.174 0.000 2.084 43 D HA -0.112 4.528 4.640 -0.000 0.000 0.194 43 D C 2.204 178.435 176.300 -0.116 0.000 0.990 43 D CA 1.739 55.675 54.000 -0.107 0.000 0.826 43 D CB -0.477 40.261 40.800 -0.104 0.000 0.971 43 D HN 0.152 nan 8.370 nan 0.000 0.453 44 G N -0.544 108.128 108.800 -0.213 0.000 2.513 44 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.219 44 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.219 44 G C 1.410 176.290 174.900 -0.033 0.000 1.160 44 G CA 1.055 46.057 45.100 -0.164 0.000 0.767 44 G HN 0.268 nan 8.290 nan 0.000 0.571 45 F N 1.831 121.793 119.950 0.020 0.000 2.126 45 F HA 0.054 4.581 4.527 -0.000 0.000 0.299 45 F C 3.027 178.826 175.800 -0.002 0.000 1.096 45 F CA 0.362 58.367 58.000 0.008 0.000 1.255 45 F CB -1.105 37.905 39.000 0.016 0.000 0.997 45 F HN 0.276 nan 8.300 nan 0.000 0.479 46 A N 0.562 123.490 122.820 0.181 0.000 1.877 46 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 46 A C 2.322 179.940 177.584 0.056 0.000 1.186 46 A CA 1.663 53.759 52.037 0.098 0.000 0.620 46 A CB -1.172 17.865 19.000 0.062 0.000 0.822 46 A HN 0.344 nan 8.150 nan 0.000 0.443 47 I N -0.152 120.437 120.570 0.031 0.000 2.163 47 I HA -0.282 3.888 4.170 -0.000 0.000 0.243 47 I C 2.123 178.255 176.117 0.025 0.000 1.085 47 I CA 1.277 62.586 61.300 0.015 0.000 1.347 47 I CB -0.326 37.669 38.000 -0.008 0.000 1.044 47 I HN 0.273 nan 8.210 nan 0.000 0.408 48 L N -0.199 121.049 121.223 0.041 0.000 2.456 48 L HA -0.106 4.233 4.340 -0.000 0.000 0.224 48 L C 2.134 179.029 176.870 0.041 0.000 1.148 48 L CA 0.618 55.481 54.840 0.040 0.000 0.825 48 L CB -0.405 41.682 42.059 0.047 0.000 0.937 48 L HN 0.168 nan 8.230 nan 0.000 0.450 49 S N -1.077 114.652 115.700 0.049 0.000 2.524 49 S HA 0.019 4.488 4.470 -0.000 0.000 0.216 49 S C 1.131 175.748 174.600 0.029 0.000 0.987 49 S CA 0.164 58.387 58.200 0.038 0.000 0.909 49 S CB 0.074 63.300 63.200 0.043 0.000 0.781 49 S HN 0.554 nan 8.310 nan 0.000 0.521 50 S N 3.025 118.740 115.700 0.026 0.000 2.652 50 S HA 0.175 4.644 4.470 -0.000 0.000 0.267 50 S C 0.577 175.188 174.600 0.019 0.000 1.201 50 S CA -0.497 57.714 58.200 0.018 0.000 0.996 50 S CB 0.116 63.324 63.200 0.013 0.000 1.054 50 S HN 0.363 nan 8.310 nan 0.000 0.561 51 N N -0.602 118.107 118.700 0.016 0.000 2.375 51 N HA 0.045 4.785 4.740 -0.000 0.000 0.220 51 N C -0.332 175.192 175.510 0.022 0.000 1.170 51 N CA -0.193 52.868 53.050 0.019 0.000 0.833 51 N CB -0.532 37.964 38.487 0.014 0.000 1.069 51 N HN 0.708 nan 8.380 nan 0.000 0.479 52 E N 0.957 121.169 120.200 0.021 0.000 2.265 52 E HA 0.345 4.695 4.350 -0.000 0.000 0.272 52 E C -0.682 175.936 176.600 0.030 0.000 1.067 52 E CA -0.291 56.121 56.400 0.020 0.000 0.900 52 E CB 0.315 30.022 29.700 0.012 0.000 1.017 52 E HN 0.378 nan 8.360 nan 0.000 0.431 53 A N 5.744 128.587 122.820 0.040 0.000 2.354 53 A HA 0.502 4.821 4.320 -0.000 0.000 0.281 53 A C -0.092 177.524 177.584 0.054 0.000 1.174 53 A CA -0.544 51.532 52.037 0.064 0.000 0.828 53 A CB -0.369 18.680 19.000 0.082 0.000 1.099 53 A HN 0.716 nan 8.150 nan 0.000 0.516 54 I N -0.947 119.649 120.570 0.042 0.000 2.740 54 I HA 0.554 4.723 4.170 -0.000 0.000 0.303 54 I C -0.388 175.705 176.117 -0.040 0.000 1.044 54 I CA -0.820 60.483 61.300 0.005 0.000 1.064 54 I CB 2.248 40.235 38.000 -0.022 0.000 1.249 54 I HN 0.436 nan 8.210 nan 0.000 0.433 55 D N 2.580 122.954 120.400 -0.042 0.000 2.366 55 D HA 0.132 4.772 4.640 -0.000 0.000 0.205 55 D C -0.208 175.966 176.300 -0.210 0.000 1.022 55 D CA 0.690 54.632 54.000 -0.097 0.000 0.868 55 D CB 0.890 41.746 40.800 0.092 0.000 0.953 55 D HN 0.517 nan 8.370 nan 0.000 0.514 56 C N 1.248 120.473 119.300 -0.125 0.000 2.931 56 C HA 0.497 4.956 4.460 -0.000 0.000 0.370 56 C C -1.732 173.238 174.990 -0.034 0.000 1.071 56 C CA -0.996 57.979 59.018 -0.073 0.000 1.266 56 C CB 0.480 28.175 27.740 -0.075 0.000 1.691 56 C HN 0.149 nan 8.230 nan 0.000 0.511 57 L N 6.836 128.074 121.223 0.025 0.000 2.307 57 L HA 0.834 5.174 4.340 -0.000 0.000 0.284 57 L C -0.537 176.434 176.870 0.167 0.000 1.023 57 L CA -0.035 54.842 54.840 0.063 0.000 0.810 57 L CB 1.212 43.292 42.059 0.035 0.000 1.231 57 L HN 0.773 nan 8.230 nan 0.000 0.423 58 M N 6.444 126.130 119.600 0.144 0.000 2.393 58 M HA 0.553 5.033 4.480 -0.000 0.000 0.316 58 M C -1.310 175.135 176.300 0.243 0.000 1.087 58 M CA -0.527 54.880 55.300 0.178 0.000 0.937 58 M CB 1.918 34.537 32.600 0.032 0.000 1.668 58 M HN 0.612 nan 8.290 nan 0.000 0.438 59 F N -0.149 119.830 119.950 0.048 0.000 2.619 59 F HA 0.858 5.385 4.527 -0.000 0.000 0.308 59 F C -0.591 175.268 175.800 0.098 0.000 1.097 59 F CA -1.036 56.979 58.000 0.025 0.000 0.953 59 F CB 0.877 39.909 39.000 0.054 0.000 1.287 59 F HN 0.614 nan 8.300 nan 0.000 0.446 60 S N 1.707 117.447 115.700 0.066 0.000 2.713 60 S HA 0.771 5.241 4.470 -0.000 0.000 0.283 60 S C -1.662 173.153 174.600 0.359 0.000 1.161 60 S CA -0.507 57.739 58.200 0.076 0.000 0.999 60 S CB 1.879 65.123 63.200 0.072 0.000 1.039 60 S HN 1.125 nan 8.310 nan 0.000 0.548 61 Y N 0.298 120.690 120.300 0.154 0.000 2.262 61 Y HA 0.260 4.810 4.550 -0.000 0.000 0.317 61 Y C 0.436 176.413 175.900 0.129 0.000 1.230 61 Y CA -1.190 57.056 58.100 0.243 0.000 1.166 61 Y CB 0.983 39.612 38.460 0.281 0.000 1.254 61 Y HN 0.970 nan 8.280 nan 0.000 0.405 62 Q N 5.452 125.392 119.800 0.233 0.000 2.172 62 Q HA 0.028 4.368 4.340 -0.000 0.000 0.200 62 Q C 0.499 176.421 176.000 -0.130 0.000 0.964 62 Q CA 1.982 57.815 55.803 0.051 0.000 0.855 62 Q CB 0.078 28.875 28.738 0.098 0.000 0.918 62 Q HN 0.911 nan 8.270 nan 0.000 0.444 63 M N -1.101 118.298 119.600 -0.336 0.000 2.872 63 M HA -0.286 4.194 4.480 -0.000 0.000 0.200 63 M C 0.049 176.223 176.300 -0.209 0.000 0.582 63 M CA 1.022 56.035 55.300 -0.479 0.000 0.706 63 M CB -1.571 30.754 32.600 -0.458 0.000 2.560 63 M HN 0.272 nan 8.290 nan 0.000 0.476 64 E N -0.715 119.366 120.200 -0.199 0.000 2.372 64 E HA 0.136 4.486 4.350 -0.000 0.000 0.201 64 E C 0.697 177.255 176.600 -0.070 0.000 0.938 64 E CA 0.111 56.472 56.400 -0.065 0.000 0.944 64 E CB 0.496 30.200 29.700 0.006 0.000 0.937 64 E HN 0.456 nan 8.360 nan 0.000 0.495 65 H N 0.973 119.839 119.070 -0.339 0.000 2.539 65 H HA 0.152 4.708 4.556 -0.000 0.000 0.332 65 H C -1.977 173.162 175.328 -0.315 0.000 1.031 65 H CA -2.509 53.384 56.048 -0.257 0.000 1.206 65 H CB 1.710 31.345 29.762 -0.213 0.000 1.446 65 H HN -0.151 nan 8.280 nan 0.000 0.496 66 P HA -0.186 nan 4.420 nan 0.000 0.217 66 P C 0.828 178.213 177.300 0.142 0.000 1.151 66 P CA 1.173 64.348 63.100 0.124 0.000 0.849 66 P CB 0.574 32.292 31.700 0.030 0.000 0.787 67 D N -0.571 120.021 120.400 0.321 0.000 2.178 67 D HA -0.154 4.486 4.640 -0.000 0.000 0.201 67 D C 2.045 178.306 176.300 -0.065 0.000 0.980 67 D CA 0.908 55.015 54.000 0.178 0.000 0.842 67 D CB -0.427 40.536 40.800 0.272 0.000 0.948 67 D HN 0.386 nan 8.370 nan 0.000 0.472 68 E N -0.301 119.637 120.200 -0.437 0.000 2.046 68 E HA -0.178 4.172 4.350 -0.000 0.000 0.190 68 E C 1.917 178.279 176.600 -0.397 0.000 0.982 68 E CA 0.650 56.640 56.400 -0.685 0.000 0.800 68 E CB 0.107 29.102 29.700 -1.174 0.000 0.756 68 E HN 0.342 nan 8.360 nan 0.000 0.449 69 H N 0.463 119.484 119.070 -0.081 0.000 2.321 69 H HA -0.208 4.348 4.556 -0.000 0.000 0.295 69 H C 2.249 177.501 175.328 -0.127 0.000 1.102 69 H CA 2.002 58.055 56.048 0.010 0.000 1.266 69 H CB -0.513 29.290 29.762 0.068 0.000 1.363 69 H HN 0.348 nan 8.280 nan 0.000 0.492 70 Q N 0.983 120.790 119.800 0.012 0.000 2.050 70 Q HA -0.151 4.188 4.340 -0.000 0.000 0.202 70 Q C 1.935 177.850 176.000 -0.142 0.000 0.980 70 Q CA 1.731 57.504 55.803 -0.050 0.000 0.840 70 Q CB -0.033 28.699 28.738 -0.010 0.000 0.898 70 Q HN 0.243 nan 8.270 nan 0.000 0.424 71 N N -0.045 118.536 118.700 -0.200 0.000 2.091 71 N HA -0.175 4.565 4.740 -0.000 0.000 0.193 71 N C 1.743 176.983 175.510 -0.449 0.000 1.021 71 N CA 1.711 54.620 53.050 -0.236 0.000 0.862 71 N CB -0.596 37.577 38.487 -0.524 0.000 1.018 71 N HN 0.176 nan 8.380 nan 0.000 0.429 72 V N 1.546 121.016 119.914 -0.740 0.000 2.295 72 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 72 V C 2.350 178.205 176.094 -0.397 0.000 1.049 72 V CA 1.551 63.416 62.300 -0.725 0.000 1.024 72 V CB -0.350 30.936 31.823 -0.895 0.000 0.648 72 V HN 0.315 nan 8.190 nan 0.000 0.447 73 R N -0.474 119.874 120.500 -0.254 0.000 2.096 73 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 73 R C 2.390 178.596 176.300 -0.157 0.000 1.127 73 R CA 1.526 57.531 56.100 -0.159 0.000 0.968 73 R CB -0.328 29.913 30.300 -0.098 0.000 0.861 73 R HN 0.623 nan 8.270 nan 0.000 0.440 74 Q N 0.408 120.101 119.800 -0.179 0.000 2.046 74 Q HA -0.151 4.189 4.340 -0.000 0.000 0.200 74 Q C 2.216 178.120 176.000 -0.160 0.000 0.975 74 Q CA 1.105 56.756 55.803 -0.253 0.000 0.836 74 Q CB -0.153 28.294 28.738 -0.487 0.000 0.896 74 Q HN 0.175 nan 8.270 nan 0.000 0.428 75 L N 0.678 121.935 121.223 0.056 0.000 2.017 75 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 75 L C 2.003 178.829 176.870 -0.073 0.000 1.073 75 L CA 1.646 56.595 54.840 0.182 0.000 0.745 75 L CB -0.213 41.964 42.059 0.196 0.000 0.894 75 L HN 0.160 nan 8.230 nan 0.000 0.432 76 I N -0.830 119.619 120.570 -0.201 0.000 2.353 76 I HA -0.117 4.053 4.170 -0.000 0.000 0.248 76 I C 2.477 178.433 176.117 -0.269 0.000 1.119 76 I CA 1.006 62.123 61.300 -0.305 0.000 1.417 76 I CB -1.024 36.795 38.000 -0.301 0.000 1.078 76 I HN 0.375 nan 8.210 nan 0.000 0.421 77 G N 1.240 109.954 108.800 -0.143 0.000 2.476 77 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.218 77 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.218 77 G C 1.662 176.524 174.900 -0.063 0.000 1.164 77 G CA 1.302 46.358 45.100 -0.073 0.000 0.768 77 G HN 0.215 nan 8.290 nan 0.000 0.560 78 K N 0.318 120.669 120.400 -0.082 0.000 2.001 78 K HA -0.004 4.315 4.320 -0.000 0.000 0.208 78 K C 2.345 178.924 176.600 -0.035 0.000 1.048 78 K CA 1.180 57.438 56.287 -0.047 0.000 0.932 78 K CB -0.898 31.584 32.500 -0.031 0.000 0.715 78 K HN 0.206 nan 8.250 nan 0.000 0.437 79 L N 1.149 122.320 121.223 -0.087 0.000 1.991 79 L HA -0.266 4.074 4.340 -0.000 0.000 0.221 79 L C 1.697 178.558 176.870 -0.014 0.000 1.079 79 L CA 2.289 57.062 54.840 -0.110 0.000 0.778 79 L CB -0.884 41.009 42.059 -0.277 0.000 0.893 79 L HN 0.502 nan 8.230 nan 0.000 0.437 80 H N -1.329 117.740 119.070 -0.003 0.000 2.556 80 H HA 0.005 4.560 4.556 -0.000 0.000 0.268 80 H C 1.769 177.102 175.328 0.009 0.000 0.996 80 H CA 0.275 56.327 56.048 0.006 0.000 1.157 80 H CB 0.199 29.962 29.762 0.002 0.000 1.355 80 H HN 0.583 nan 8.280 nan 0.000 0.597 81 E N 0.995 121.257 120.200 0.104 0.000 2.017 81 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 81 E C 1.694 178.330 176.600 0.059 0.000 0.997 81 E CA 0.951 57.387 56.400 0.061 0.000 0.804 81 E CB 0.142 29.860 29.700 0.029 0.000 0.757 81 E HN 0.417 nan 8.360 nan 0.000 0.448 82 R N -0.483 120.055 120.500 0.064 0.000 2.404 82 R HA 0.152 4.491 4.340 -0.000 0.000 0.237 82 R C 0.487 176.844 176.300 0.095 0.000 0.907 82 R CA 0.088 56.225 56.100 0.062 0.000 1.063 82 R CB 0.755 31.081 30.300 0.045 0.000 1.134 82 R HN 0.069 nan 8.270 nan 0.000 0.529 83 Q N 0.459 120.334 119.800 0.125 0.000 2.318 83 Q HA 0.097 4.436 4.340 -0.000 0.000 0.371 83 Q C 0.362 176.502 176.000 0.233 0.000 0.896 83 Q CA -0.133 55.771 55.803 0.167 0.000 1.134 83 Q CB 1.487 30.293 28.738 0.114 0.000 1.329 83 Q HN 0.203 nan 8.270 nan 0.000 0.413 84 Q N 1.219 121.127 119.800 0.180 0.000 2.112 84 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 84 Q C 0.410 176.376 176.000 -0.056 0.000 0.987 84 Q CA 1.955 57.799 55.803 0.069 0.000 0.858 84 Q CB 0.150 28.903 28.738 0.025 0.000 0.905 84 Q HN 0.484 nan 8.270 nan 0.000 0.420 85 N N -0.708 118.075 118.700 0.140 0.000 2.276 85 N HA 0.133 4.873 4.740 -0.000 0.000 0.212 85 N C -1.148 174.456 175.510 0.156 0.000 1.127 85 N CA -0.387 52.756 53.050 0.156 0.000 0.834 85 N CB 1.039 39.661 38.487 0.224 0.000 1.014 85 N HN -0.062 nan 8.380 nan 0.000 0.491 86 V N 3.429 123.336 119.914 -0.012 0.000 2.529 86 V HA 0.089 4.209 4.120 -0.000 0.000 0.292 86 V C -1.737 174.339 176.094 -0.030 0.000 1.028 86 V CA -1.262 60.841 62.300 -0.329 0.000 1.074 86 V CB 0.326 31.982 31.823 -0.280 0.000 0.958 86 V HN 0.155 nan 8.190 nan 0.000 0.481 87 P HA 0.165 nan 4.420 nan 0.000 0.271 87 P C -0.766 176.619 177.300 0.142 0.000 1.216 87 P CA -0.008 63.140 63.100 0.080 0.000 0.771 87 P CB 1.081 32.866 31.700 0.141 0.000 0.864 88 V N 4.837 124.825 119.914 0.123 0.000 2.370 88 V HA 0.307 4.426 4.120 -0.000 0.000 0.283 88 V C -0.041 176.091 176.094 0.064 0.000 1.023 88 V CA -0.342 62.051 62.300 0.156 0.000 0.857 88 V CB 0.503 32.406 31.823 0.134 0.000 0.985 88 V HN 0.352 nan 8.190 nan 0.000 0.443 89 F N 4.939 124.886 119.950 -0.006 0.000 2.411 89 F HA 0.524 5.051 4.527 -0.000 0.000 0.352 89 F C -0.074 175.606 175.800 -0.201 0.000 1.123 89 F CA -0.741 57.192 58.000 -0.112 0.000 1.044 89 F CB 1.715 40.665 39.000 -0.083 0.000 1.135 89 F HN 0.330 nan 8.300 nan 0.000 0.461 90 L N 6.054 127.105 121.223 -0.287 0.000 2.283 90 L HA 0.369 4.709 4.340 -0.000 0.000 0.287 90 L C -0.666 176.091 176.870 -0.188 0.000 1.073 90 L CA -0.147 54.399 54.840 -0.490 0.000 0.822 90 L CB 0.145 41.982 42.059 -0.370 0.000 1.186 90 L HN 0.461 nan 8.230 nan 0.000 0.436 91 L N 6.864 127.974 121.223 -0.188 0.000 2.395 91 L HA 0.389 4.729 4.340 -0.000 0.000 0.268 91 L C 0.906 177.826 176.870 0.083 0.000 1.223 91 L CA -0.198 54.645 54.840 0.006 0.000 1.093 91 L CB -0.729 41.331 42.059 0.002 0.000 1.349 91 L HN 0.799 nan 8.230 nan 0.000 0.427 92 G N 0.698 109.651 108.800 0.255 0.000 2.552 92 G HA2 0.304 4.263 3.960 -0.000 0.000 0.324 92 G HA3 0.304 4.263 3.960 -0.000 0.000 0.324 92 G C -1.317 173.769 174.900 0.309 0.000 1.217 92 G CA -0.468 44.823 45.100 0.318 0.000 0.989 92 G HN 0.423 nan 8.290 nan 0.000 0.490 93 D N -1.064 119.418 120.400 0.137 0.000 2.316 93 D HA 0.153 4.792 4.640 -0.000 0.000 0.245 93 D C 1.604 177.730 176.300 -0.291 0.000 1.171 93 D CA -0.462 53.530 54.000 -0.013 0.000 0.856 93 D CB 1.100 41.885 40.800 -0.025 0.000 1.090 93 D HN 0.393 nan 8.370 nan 0.000 0.476 94 R N 3.256 123.349 120.500 -0.678 0.000 2.094 94 R HA -0.265 4.075 4.340 -0.000 0.000 0.239 94 R C 1.442 177.287 176.300 -0.758 0.000 1.137 94 R CA 1.863 57.054 56.100 -1.515 0.000 0.943 94 R CB -0.044 29.267 30.300 -1.647 0.000 0.850 94 R HN 0.557 nan 8.270 nan 0.000 0.433 95 E N 0.266 120.208 120.200 -0.431 0.000 2.038 95 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 95 E C 1.896 178.377 176.600 -0.197 0.000 1.000 95 E CA 1.902 58.146 56.400 -0.259 0.000 0.803 95 E CB 0.135 29.735 29.700 -0.167 0.000 0.750 95 E HN 0.333 nan 8.360 nan 0.000 0.448 96 K N -0.466 119.835 120.400 -0.165 0.000 2.062 96 K HA -0.032 4.287 4.320 -0.000 0.000 0.205 96 K C 2.179 178.724 176.600 -0.092 0.000 1.051 96 K CA 0.890 57.110 56.287 -0.112 0.000 0.941 96 K CB -0.153 32.288 32.500 -0.097 0.000 0.719 96 K HN 0.143 nan 8.250 nan 0.000 0.440 97 A N 1.737 124.506 122.820 -0.085 0.000 1.883 97 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 97 A C 2.140 179.726 177.584 0.004 0.000 1.186 97 A CA 1.378 53.450 52.037 0.057 0.000 0.624 97 A CB -0.741 18.425 19.000 0.277 0.000 0.822 97 A HN 0.159 nan 8.150 nan 0.000 0.444 98 L N -0.965 120.183 121.223 -0.124 0.000 2.093 98 L HA -0.168 4.171 4.340 -0.000 0.000 0.208 98 L C 3.071 179.896 176.870 -0.075 0.000 1.085 98 L CA 0.974 55.745 54.840 -0.115 0.000 0.755 98 L CB -0.651 41.310 42.059 -0.163 0.000 0.904 98 L HN 0.451 nan 8.230 nan 0.000 0.435 99 A N 0.263 123.036 122.820 -0.077 0.000 1.972 99 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 99 A C 2.371 179.936 177.584 -0.032 0.000 1.169 99 A CA 1.613 53.618 52.037 -0.054 0.000 0.635 99 A CB -0.522 18.443 19.000 -0.057 0.000 0.810 99 A HN 0.393 nan 8.150 nan 0.000 0.446 100 A N -1.502 121.308 122.820 -0.017 0.000 2.235 100 A HA 0.331 4.651 4.320 -0.000 0.000 0.208 100 A C 1.080 178.686 177.584 0.037 0.000 1.172 100 A CA 0.493 52.535 52.037 0.008 0.000 0.786 100 A CB -0.614 18.403 19.000 0.027 0.000 0.804 100 A HN 0.521 nan 8.150 nan 0.000 0.479 101 M N 2.465 122.079 119.600 0.023 0.000 2.390 101 M HA 0.261 4.741 4.480 -0.000 0.000 0.353 101 M C -0.560 175.759 176.300 0.032 0.000 1.623 101 M CA -0.046 55.272 55.300 0.031 0.000 1.065 101 M CB -0.491 32.095 32.600 -0.023 0.000 2.025 101 M HN 0.538 nan 8.290 nan 0.000 0.461 102 D N 2.990 123.425 120.400 0.059 0.000 2.779 102 D HA 0.266 4.905 4.640 -0.000 0.000 0.331 102 D C -0.035 176.305 176.300 0.066 0.000 1.331 102 D CA -0.667 53.361 54.000 0.046 0.000 0.866 102 D CB 0.474 41.291 40.800 0.029 0.000 1.409 102 D HN 0.523 nan 8.370 nan 0.000 0.486 103 R N -0.549 119.981 120.500 0.050 0.000 2.096 103 R HA -0.054 4.286 4.340 -0.000 0.000 0.235 103 R C 0.855 177.195 176.300 0.067 0.000 1.127 103 R CA 1.578 57.712 56.100 0.056 0.000 0.968 103 R CB -0.274 30.048 30.300 0.038 0.000 0.861 103 R HN 0.467 nan 8.270 nan 0.000 0.440 104 D N 0.825 121.261 120.400 0.059 0.000 2.104 104 D HA -0.177 4.463 4.640 -0.000 0.000 0.194 104 D C 1.835 178.195 176.300 0.100 0.000 0.994 104 D CA 0.925 54.962 54.000 0.063 0.000 0.830 104 D CB -0.213 40.613 40.800 0.042 0.000 0.959 104 D HN 0.057 nan 8.370 nan 0.000 0.452 105 L N 0.649 121.952 121.223 0.133 0.000 2.079 105 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 105 L C 2.147 179.148 176.870 0.219 0.000 1.081 105 L CA 1.389 56.354 54.840 0.209 0.000 0.752 105 L CB -0.469 41.747 42.059 0.263 0.000 0.896 105 L HN 0.018 nan 8.230 nan 0.000 0.433 106 L N -1.219 120.119 121.223 0.190 0.000 2.341 106 L HA -0.037 4.303 4.340 -0.000 0.000 0.214 106 L C 2.396 179.334 176.870 0.114 0.000 1.115 106 L CA 0.171 55.118 54.840 0.179 0.000 0.820 106 L CB -0.536 41.620 42.059 0.162 0.000 0.944 106 L HN 0.207 nan 8.230 nan 0.000 0.452 107 E N 0.567 120.825 120.200 0.097 0.000 2.077 107 E HA -0.159 4.190 4.350 -0.000 0.000 0.193 107 E C 2.300 178.959 176.600 0.099 0.000 0.989 107 E CA 1.208 57.657 56.400 0.080 0.000 0.800 107 E CB -0.125 29.615 29.700 0.066 0.000 0.746 107 E HN 0.495 nan 8.360 nan 0.000 0.452 108 L N 0.194 121.479 121.223 0.103 0.000 2.068 108 L HA -0.019 4.321 4.340 -0.000 0.000 0.204 108 L C 0.929 177.858 176.870 0.098 0.000 1.076 108 L CA 0.526 55.423 54.840 0.096 0.000 0.753 108 L CB 0.010 42.122 42.059 0.088 0.000 0.910 108 L HN -0.152 nan 8.230 nan 0.000 0.439 109 V N 0.493 120.444 119.914 0.061 0.000 2.370 109 V HA 0.107 4.227 4.120 -0.000 0.000 0.283 109 V C 0.224 176.212 176.094 -0.177 0.000 1.023 109 V CA -0.436 61.801 62.300 -0.105 0.000 0.857 109 V CB 1.606 33.213 31.823 -0.359 0.000 0.985 109 V HN 0.182 nan 8.190 nan 0.000 0.443 110 D N 2.129 122.411 120.400 -0.197 0.000 2.216 110 D HA 0.065 4.705 4.640 -0.000 0.000 0.208 110 D C 0.444 176.536 176.300 -0.347 0.000 0.960 110 D CA 0.830 54.716 54.000 -0.189 0.000 0.861 110 D CB 0.787 41.515 40.800 -0.120 0.000 0.985 110 D HN 0.511 nan 8.370 nan 0.000 0.493 111 E N -0.045 119.751 120.200 -0.673 0.000 2.292 111 E HA 0.336 4.686 4.350 -0.000 0.000 0.272 111 E C -1.113 174.925 176.600 -0.936 0.000 0.881 111 E CA -0.572 55.324 56.400 -0.840 0.000 0.754 111 E CB 2.029 30.795 29.700 -1.558 0.000 1.201 111 E HN -0.084 nan 8.360 nan 0.000 0.425 112 F N 0.869 120.522 119.950 -0.494 0.000 2.436 112 F HA 0.628 5.155 4.527 -0.000 0.000 0.340 112 F C 0.390 175.805 175.800 -0.642 0.000 1.113 112 F CA -0.829 56.844 58.000 -0.545 0.000 1.022 112 F CB 1.828 40.400 39.000 -0.714 0.000 1.128 112 F HN 0.382 nan 8.300 nan 0.000 0.466 113 A N 3.375 126.016 122.820 -0.298 0.000 2.357 113 A HA 0.450 4.770 4.320 -0.000 0.000 0.295 113 A C -1.562 176.062 177.584 0.067 0.000 1.121 113 A CA -0.663 51.270 52.037 -0.172 0.000 0.742 113 A CB 0.293 19.354 19.000 0.101 0.000 1.181 113 A HN 0.932 nan 8.150 nan 0.000 0.454 114 W N 3.999 125.385 121.300 0.143 0.000 2.351 114 W HA 0.242 4.902 4.660 -0.000 0.000 0.421 114 W C 1.028 177.608 176.519 0.102 0.000 1.000 114 W CA -0.632 56.781 57.345 0.113 0.000 1.610 114 W CB 0.297 29.814 29.460 0.096 0.000 1.700 114 W HN 0.774 nan 8.180 nan 0.000 0.351 115 I N 2.500 123.265 120.570 0.325 0.000 2.530 115 I HA -0.247 3.923 4.170 -0.000 0.000 0.257 115 I C 1.543 177.771 176.117 0.186 0.000 1.179 115 I CA 1.785 63.207 61.300 0.202 0.000 1.440 115 I CB 0.109 38.200 38.000 0.151 0.000 1.087 115 I HN 0.431 nan 8.210 nan 0.000 0.440 116 L N -0.580 120.771 121.223 0.213 0.000 2.640 116 L HA 0.211 4.550 4.340 -0.000 0.000 0.230 116 L C 1.225 178.186 176.870 0.152 0.000 1.123 116 L CA 0.187 55.138 54.840 0.186 0.000 0.900 116 L CB -0.132 42.056 42.059 0.215 0.000 1.146 116 L HN 0.232 nan 8.230 nan 0.000 0.484 117 E N -1.394 118.918 120.200 0.186 0.000 2.606 117 E HA 0.078 4.428 4.350 -0.000 0.000 0.224 117 E C -0.273 176.435 176.600 0.179 0.000 0.930 117 E CA -0.136 56.367 56.400 0.172 0.000 1.125 117 E CB 1.194 31.015 29.700 0.202 0.000 1.123 117 E HN 0.136 nan 8.360 nan 0.000 0.522 118 D N 0.525 121.033 120.400 0.180 0.000 2.384 118 D HA 0.221 4.861 4.640 -0.000 0.000 0.250 118 D C -0.625 175.718 176.300 0.072 0.000 1.029 118 D CA -0.389 53.712 54.000 0.169 0.000 0.990 118 D CB 1.657 42.570 40.800 0.188 0.000 1.175 118 D HN -0.284 nan 8.370 nan 0.000 0.532 119 T N 1.166 115.719 114.554 -0.002 0.000 2.780 119 T HA 0.431 4.781 4.350 -0.000 0.000 0.294 119 T C 1.225 175.828 174.700 -0.162 0.000 0.949 119 T CA -0.059 61.893 62.100 -0.246 0.000 1.074 119 T CB 1.382 69.721 68.868 -0.881 0.000 0.910 119 T HN 0.415 nan 8.240 nan 0.000 0.501 120 A N 3.517 126.264 122.820 -0.121 0.000 1.903 120 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 120 A C 2.105 179.644 177.584 -0.074 0.000 1.191 120 A CA 1.843 53.837 52.037 -0.071 0.000 0.638 120 A CB -0.579 18.383 19.000 -0.062 0.000 0.823 120 A HN 0.791 nan 8.150 nan 0.000 0.451 121 D N -0.988 119.326 120.400 -0.142 0.000 2.158 121 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 121 D C 1.638 177.986 176.300 0.079 0.000 0.995 121 D CA 1.175 55.129 54.000 -0.076 0.000 0.846 121 D CB -0.368 40.353 40.800 -0.131 0.000 0.941 121 D HN 0.449 nan 8.370 nan 0.000 0.456 122 F N 0.550 120.506 119.950 0.009 0.000 2.146 122 F HA 0.018 4.545 4.527 -0.000 0.000 0.298 122 F C 2.448 178.258 175.800 0.017 0.000 1.096 122 F CA 0.069 58.078 58.000 0.015 0.000 1.275 122 F CB -1.008 38.006 39.000 0.023 0.000 1.008 122 F HN -0.029 nan 8.300 nan 0.000 0.480 123 I N -0.132 120.551 120.570 0.188 0.000 2.315 123 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 123 I C 2.586 178.701 176.117 -0.003 0.000 1.117 123 I CA 1.126 62.488 61.300 0.103 0.000 1.404 123 I CB -0.726 37.312 38.000 0.063 0.000 1.071 123 I HN 0.052 nan 8.210 nan 0.000 0.419 124 A N 0.942 123.755 122.820 -0.011 0.000 1.902 124 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 124 A C 2.459 180.028 177.584 -0.026 0.000 1.181 124 A CA 1.880 53.883 52.037 -0.056 0.000 0.623 124 A CB -1.472 17.504 19.000 -0.040 0.000 0.818 124 A HN 0.449 nan 8.150 nan 0.000 0.443 125 G N -0.732 108.095 108.800 0.044 0.000 2.442 125 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.219 125 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.219 125 G C 1.776 176.709 174.900 0.056 0.000 1.141 125 G CA 0.862 45.996 45.100 0.057 0.000 0.763 125 G HN 0.533 nan 8.290 nan 0.000 0.554 126 R N 0.336 120.886 120.500 0.084 0.000 2.073 126 R HA 0.074 4.414 4.340 -0.000 0.000 0.229 126 R C 3.054 179.451 176.300 0.162 0.000 1.120 126 R CA 0.997 57.193 56.100 0.159 0.000 0.967 126 R CB -0.391 30.070 30.300 0.268 0.000 0.862 126 R HN 0.354 nan 8.270 nan 0.000 0.436 127 A N 0.901 123.659 122.820 -0.103 0.000 1.883 127 A HA -0.133 4.186 4.320 -0.000 0.000 0.217 127 A C 2.379 179.913 177.584 -0.084 0.000 1.186 127 A CA 1.516 53.351 52.037 -0.337 0.000 0.624 127 A CB -0.696 17.948 19.000 -0.593 0.000 0.822 127 A HN 0.103 nan 8.150 nan 0.000 0.444 128 V N -0.064 119.821 119.914 -0.048 0.000 2.282 128 V HA -0.306 3.814 4.120 -0.000 0.000 0.249 128 V C 3.063 179.180 176.094 0.038 0.000 1.057 128 V CA 2.157 64.455 62.300 -0.002 0.000 1.032 128 V CB -1.303 30.521 31.823 0.001 0.000 0.645 128 V HN 0.640 nan 8.190 nan 0.000 0.447 129 A N -0.226 122.628 122.820 0.057 0.000 1.902 129 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 129 A C 2.410 180.053 177.584 0.098 0.000 1.181 129 A CA 2.091 54.171 52.037 0.071 0.000 0.623 129 A CB -0.742 18.301 19.000 0.072 0.000 0.818 129 A HN 0.587 nan 8.150 nan 0.000 0.443 130 A N -0.632 122.272 122.820 0.140 0.000 1.898 130 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 130 A C 2.260 179.944 177.584 0.168 0.000 1.181 130 A CA 1.725 53.869 52.037 0.179 0.000 0.620 130 A CB -0.502 18.690 19.000 0.320 0.000 0.819 130 A HN 0.525 nan 8.150 nan 0.000 0.442 131 M N -0.902 118.776 119.600 0.129 0.000 2.132 131 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 131 M C 2.243 178.642 176.300 0.165 0.000 1.065 131 M CA 1.839 57.227 55.300 0.146 0.000 1.122 131 M CB -0.711 31.933 32.600 0.075 0.000 1.365 131 M HN 0.433 nan 8.290 nan 0.000 0.411 132 T N 0.087 114.703 114.554 0.104 0.000 2.684 132 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 132 T C 1.767 176.510 174.700 0.073 0.000 1.036 132 T CA 1.632 63.776 62.100 0.073 0.000 1.148 132 T CB -0.400 68.497 68.868 0.049 0.000 0.863 132 T HN 0.396 nan 8.240 nan 0.000 0.436 133 R N -0.406 120.148 120.500 0.090 0.000 2.091 133 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 133 R C 2.332 178.689 176.300 0.096 0.000 1.136 133 R CA 1.547 57.694 56.100 0.079 0.000 0.959 133 R CB -0.566 29.786 30.300 0.087 0.000 0.856 133 R HN 0.476 nan 8.270 nan 0.000 0.437 134 Y N 1.192 121.510 120.300 0.030 0.000 2.097 134 Y HA -0.217 4.333 4.550 -0.000 0.000 0.282 134 Y C 2.283 178.195 175.900 0.020 0.000 1.152 134 Y CA 1.819 59.937 58.100 0.030 0.000 1.136 134 Y CB -0.235 38.253 38.460 0.047 0.000 0.975 134 Y HN -0.020 nan 8.280 nan 0.000 0.498 135 R N 0.074 120.510 120.500 -0.106 0.000 2.152 135 R HA -0.174 4.166 4.340 -0.000 0.000 0.232 135 R C 2.214 178.416 176.300 -0.164 0.000 1.117 135 R CA 1.622 57.610 56.100 -0.186 0.000 0.981 135 R CB -0.267 30.017 30.300 -0.026 0.000 0.870 135 R HN 0.584 nan 8.270 nan 0.000 0.451 136 Q N 0.048 119.787 119.800 -0.101 0.000 2.224 136 Q HA -0.193 4.146 4.340 -0.000 0.000 0.203 136 Q C 1.486 177.417 176.000 -0.115 0.000 0.970 136 Q CA 1.510 57.261 55.803 -0.087 0.000 0.865 136 Q CB 0.174 28.884 28.738 -0.046 0.000 0.922 136 Q HN 0.378 nan 8.270 nan 0.000 0.445 137 Q N -0.660 119.053 119.800 -0.145 0.000 2.282 137 Q HA 0.059 4.399 4.340 -0.000 0.000 0.206 137 Q C 1.405 177.286 176.000 -0.198 0.000 0.878 137 Q CA 0.097 55.812 55.803 -0.146 0.000 0.944 137 Q CB -0.057 28.620 28.738 -0.101 0.000 1.100 137 Q HN 0.183 nan 8.270 nan 0.000 0.509 138 L N 0.156 121.212 121.223 -0.278 0.000 2.046 138 L HA 0.121 4.461 4.340 -0.000 0.000 0.208 138 L C 0.308 177.099 176.870 -0.131 0.000 1.077 138 L CA 1.425 56.087 54.840 -0.298 0.000 0.747 138 L CB 0.011 41.841 42.059 -0.383 0.000 0.896 138 L HN 0.332 nan 8.230 nan 0.000 0.432 139 L N 1.165 122.329 121.223 -0.098 0.000 2.357 139 L HA 0.346 4.686 4.340 -0.000 0.000 0.273 139 L C -1.901 174.947 176.870 -0.036 0.000 1.080 139 L CA -2.112 52.723 54.840 -0.009 0.000 0.803 139 L CB 0.320 42.367 42.059 -0.020 0.000 1.174 139 L HN 0.048 nan 8.230 nan 0.000 0.443 140 P HA 0.124 nan 4.420 nan 0.000 0.272 140 P C -2.323 174.951 177.300 -0.042 0.000 1.230 140 P CA -1.372 61.713 63.100 -0.024 0.000 0.788 140 P CB 0.421 32.231 31.700 0.184 0.000 0.949 141 P HA -0.111 nan 4.420 nan 0.000 0.217 141 P C 1.596 178.825 177.300 -0.118 0.000 1.151 141 P CA 0.804 63.825 63.100 -0.131 0.000 0.828 141 P CB 0.103 31.711 31.700 -0.153 0.000 0.788 142 L N -0.870 120.298 121.223 -0.093 0.000 2.023 142 L HA -0.026 4.314 4.340 -0.000 0.000 0.205 142 L C 2.489 179.308 176.870 -0.086 0.000 1.073 142 L CA 1.587 56.310 54.840 -0.196 0.000 0.745 142 L CB -1.861 40.042 42.059 -0.260 0.000 0.900 142 L HN -0.204 nan 8.230 nan 0.000 0.435 143 F N -0.156 119.725 119.950 -0.115 0.000 2.091 143 F HA -0.252 4.275 4.527 -0.000 0.000 0.299 143 F C 2.839 178.602 175.800 -0.063 0.000 1.103 143 F CA 1.763 59.721 58.000 -0.069 0.000 1.228 143 F CB -1.093 37.892 39.000 -0.026 0.000 0.984 143 F HN 0.248 nan 8.300 nan 0.000 0.477 144 S N -0.050 115.497 115.700 -0.254 0.000 2.365 144 S HA -0.224 4.246 4.470 -0.000 0.000 0.225 144 S C 2.312 176.767 174.600 -0.242 0.000 1.039 144 S CA 1.589 59.591 58.200 -0.329 0.000 1.033 144 S CB -0.900 62.183 63.200 -0.196 0.000 0.887 144 S HN 0.554 nan 8.310 nan 0.000 0.447 145 A N 1.103 123.818 122.820 -0.175 0.000 1.930 145 A HA 0.105 4.425 4.320 -0.000 0.000 0.217 145 A C 2.223 179.762 177.584 -0.075 0.000 1.175 145 A CA 1.249 53.211 52.037 -0.126 0.000 0.627 145 A CB -0.741 18.165 19.000 -0.157 0.000 0.815 145 A HN 0.565 nan 8.150 nan 0.000 0.443 146 L N -1.169 119.995 121.223 -0.099 0.000 2.012 146 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 146 L C 2.860 179.751 176.870 0.034 0.000 1.073 146 L CA 2.052 56.900 54.840 0.014 0.000 0.748 146 L CB -0.407 41.694 42.059 0.071 0.000 0.891 146 L HN 0.587 nan 8.230 nan 0.000 0.431 147 M N -0.379 119.147 119.600 -0.123 0.000 2.132 147 M HA -0.219 4.260 4.480 -0.000 0.000 0.263 147 M C 2.262 178.523 176.300 -0.064 0.000 1.065 147 M CA 1.774 56.986 55.300 -0.147 0.000 1.122 147 M CB -0.007 32.327 32.600 -0.443 0.000 1.365 147 M HN 0.086 nan 8.290 nan 0.000 0.411 148 K N -0.779 119.581 120.400 -0.066 0.000 2.025 148 K HA -0.191 4.129 4.320 -0.000 0.000 0.207 148 K C 1.941 178.575 176.600 0.056 0.000 1.049 148 K CA 1.643 57.922 56.287 -0.014 0.000 0.933 148 K CB -0.516 31.969 32.500 -0.024 0.000 0.714 148 K HN 0.365 nan 8.250 nan 0.000 0.438 149 Y N 2.142 122.428 120.300 -0.024 0.000 2.224 149 Y HA -0.228 4.322 4.550 -0.000 0.000 0.289 149 Y C 2.436 178.369 175.900 0.054 0.000 1.146 149 Y CA 1.641 59.747 58.100 0.009 0.000 1.182 149 Y CB -0.368 38.086 38.460 -0.010 0.000 0.983 149 Y HN 0.091 nan 8.280 nan 0.000 0.524 150 S N -1.097 114.612 115.700 0.014 0.000 2.469 150 S HA -0.152 4.318 4.470 -0.000 0.000 0.238 150 S C 1.508 176.158 174.600 0.084 0.000 0.998 150 S CA 1.346 59.583 58.200 0.061 0.000 0.957 150 S CB -0.368 62.952 63.200 0.201 0.000 0.764 150 S HN 0.500 nan 8.310 nan 0.000 0.514 151 D N 1.538 121.949 120.400 0.017 0.000 2.249 151 D HA 0.105 4.745 4.640 -0.000 0.000 0.205 151 D C 1.655 177.947 176.300 -0.013 0.000 0.962 151 D CA 0.972 54.987 54.000 0.024 0.000 0.860 151 D CB 0.013 40.821 40.800 0.013 0.000 0.955 151 D HN 0.738 nan 8.370 nan 0.000 0.505 152 I N -2.059 118.454 120.570 -0.093 0.000 3.968 152 I HA 0.152 4.322 4.170 -0.000 0.000 0.328 152 I C 0.635 176.619 176.117 -0.221 0.000 1.290 152 I CA -0.161 61.068 61.300 -0.119 0.000 1.163 152 I CB -0.372 37.581 38.000 -0.078 0.000 1.024 152 I HN -0.252 nan 8.210 nan 0.000 0.413 153 H N 2.522 121.301 119.070 -0.485 0.000 2.803 153 H HA 0.369 4.924 4.556 -0.000 0.000 0.330 153 H C -0.089 174.953 175.328 -0.477 0.000 1.057 153 H CA -0.022 55.608 56.048 -0.696 0.000 1.458 153 H CB 0.631 29.793 29.762 -1.000 0.000 1.470 153 H HN 0.334 nan 8.280 nan 0.000 0.560 154 E N 4.186 123.810 120.200 -0.960 0.000 2.105 154 E HA 0.057 4.407 4.350 -0.000 0.000 0.285 154 E C -0.670 175.345 176.600 -0.976 0.000 1.055 154 E CA -0.074 55.920 56.400 -0.676 0.000 0.843 154 E CB 0.009 29.522 29.700 -0.312 0.000 1.067 154 E HN 0.693 nan 8.360 nan 0.000 0.398 155 Y N 1.919 121.982 120.300 -0.396 0.000 2.546 155 Y HA 0.150 4.699 4.550 -0.000 0.000 0.287 155 Y C 0.602 176.338 175.900 -0.274 0.000 1.158 155 Y CA 0.043 58.022 58.100 -0.200 0.000 1.307 155 Y CB 0.495 38.933 38.460 -0.038 0.000 1.036 155 Y HN 0.272 nan 8.280 nan 0.000 0.532 156 S N -1.503 113.988 115.700 -0.349 0.000 2.652 156 S HA 0.122 4.591 4.470 -0.000 0.000 0.270 156 S C -0.269 173.967 174.600 -0.606 0.000 1.243 156 S CA -0.480 57.249 58.200 -0.785 0.000 0.999 156 S CB 0.291 62.617 63.200 -1.457 0.000 0.973 156 S HN 0.638 nan 8.310 nan 0.000 0.544 157 W N -1.397 119.898 121.300 -0.009 0.000 2.323 157 W HA -0.264 4.395 4.660 -0.000 0.000 0.261 157 W C 0.281 176.799 176.519 -0.001 0.000 1.029 157 W CA 0.259 57.598 57.345 -0.009 0.000 0.499 157 W CB -1.925 27.526 29.460 -0.015 0.000 2.045 157 W HN 0.770 nan 8.180 nan 0.000 1.374 158 A N 0.172 123.041 122.820 0.082 0.000 2.413 158 A HA 0.942 5.262 4.320 -0.000 0.000 0.307 158 A C -0.012 177.584 177.584 0.021 0.000 1.087 158 A CA -0.303 51.777 52.037 0.072 0.000 0.750 158 A CB 1.062 20.120 19.000 0.096 0.000 1.296 158 A HN 0.837 nan 8.150 nan 0.000 0.423 159 A N 1.648 124.478 122.820 0.018 0.000 2.366 159 A HA 0.649 4.968 4.320 -0.000 0.000 0.249 159 A C -2.378 175.193 177.584 -0.021 0.000 1.084 159 A CA -1.110 50.914 52.037 -0.021 0.000 0.794 159 A CB -0.749 18.242 19.000 -0.014 0.000 1.034 159 A HN 0.571 nan 8.150 nan 0.000 0.491 160 P HA 0.159 nan 4.420 nan 0.000 0.268 160 P C 1.184 178.337 177.300 -0.246 0.000 1.205 160 P CA 0.533 63.523 63.100 -0.183 0.000 0.771 160 P CB 0.590 32.096 31.700 -0.323 0.000 0.858 161 G N 2.201 110.904 108.800 -0.162 0.000 2.485 161 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.221 161 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.221 161 G C 1.108 175.900 174.900 -0.180 0.000 1.115 161 G CA 1.191 46.206 45.100 -0.141 0.000 0.751 161 G HN 0.756 nan 8.290 nan 0.000 0.567 162 H N -1.372 117.615 119.070 -0.139 0.000 2.524 162 H HA 0.185 4.741 4.556 -0.000 0.000 0.282 162 H C 0.881 176.135 175.328 -0.124 0.000 1.016 162 H CA 0.696 56.592 56.048 -0.254 0.000 1.270 162 H CB -0.323 29.173 29.762 -0.443 0.000 1.394 162 H HN 0.391 nan 8.280 nan 0.000 0.568 163 Q N 0.436 120.125 119.800 -0.184 0.000 2.449 163 Q HA -0.167 4.173 4.340 -0.000 0.000 0.351 163 Q C 0.794 176.784 176.000 -0.018 0.000 1.456 163 Q CA 0.588 56.383 55.803 -0.014 0.000 0.951 163 Q CB -2.105 26.598 28.738 -0.057 0.000 1.153 163 Q HN 1.052 nan 8.270 nan 0.000 0.341 164 G N -0.617 108.172 108.800 -0.018 0.000 2.283 164 G HA2 -0.113 3.846 3.960 -0.000 0.000 0.280 164 G HA3 -0.113 3.846 3.960 -0.000 0.000 0.280 164 G C 0.929 175.930 174.900 0.168 0.000 1.029 164 G CA 1.118 46.080 45.100 -0.229 0.000 0.840 164 G HN 1.849 nan 8.290 nan 0.000 0.505 165 G N -3.048 106.034 108.800 0.471 0.000 2.217 165 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.246 165 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.246 165 G C 1.399 176.315 174.900 0.026 0.000 0.990 165 G CA 1.019 46.225 45.100 0.177 0.000 0.627 165 G HN 1.413 nan 8.290 nan 0.000 0.522 166 V N 1.587 121.484 119.914 -0.029 0.000 2.332 166 V HA -0.036 4.083 4.120 -0.000 0.000 0.248 166 V C 3.163 179.172 176.094 -0.142 0.000 1.055 166 V CA 3.172 65.396 62.300 -0.128 0.000 1.038 166 V CB -1.163 30.598 31.823 -0.103 0.000 0.651 166 V HN 0.816 nan 8.190 nan 0.000 0.450 167 G N -0.338 108.370 108.800 -0.153 0.000 2.513 167 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.219 167 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.219 167 G C 1.426 176.186 174.900 -0.234 0.000 1.160 167 G CA 1.261 46.221 45.100 -0.233 0.000 0.767 167 G HN 0.486 nan 8.290 nan 0.000 0.571 168 F N 1.584 121.453 119.950 -0.134 0.000 2.171 168 F HA -0.046 4.481 4.527 -0.000 0.000 0.300 168 F C 3.128 178.869 175.800 -0.098 0.000 1.090 168 F CA 1.581 59.521 58.000 -0.099 0.000 1.293 168 F CB -0.916 38.027 39.000 -0.094 0.000 1.013 168 F HN 0.214 nan 8.300 nan 0.000 0.486 169 T N -2.108 112.423 114.554 -0.037 0.000 3.139 169 T HA -0.128 4.221 4.350 -0.000 0.000 0.267 169 T C 1.511 176.194 174.700 -0.028 0.000 1.164 169 T CA 0.803 62.849 62.100 -0.089 0.000 1.075 169 T CB -0.475 68.253 68.868 -0.233 0.000 0.904 169 T HN 0.289 nan 8.240 nan 0.000 0.540 170 K N 1.323 121.712 120.400 -0.019 0.000 2.400 170 K HA 0.080 4.400 4.320 -0.000 0.000 0.194 170 K C 0.966 177.570 176.600 0.007 0.000 1.033 170 K CA 0.681 56.957 56.287 -0.019 0.000 1.021 170 K CB 0.246 32.722 32.500 -0.040 0.000 0.808 170 K HN 0.644 nan 8.250 nan 0.000 0.505 171 T N -2.609 111.966 114.554 0.036 0.000 2.908 171 T HA 0.283 4.632 4.350 -0.000 0.000 0.290 171 T C -2.446 172.300 174.700 0.076 0.000 1.034 171 T CA -2.252 59.876 62.100 0.047 0.000 1.010 171 T CB 2.160 71.053 68.868 0.042 0.000 1.068 171 T HN -0.321 nan 8.240 nan 0.000 0.481 172 P HA -0.088 nan 4.420 nan 0.000 0.215 172 P C 1.735 179.118 177.300 0.139 0.000 1.157 172 P CA 1.842 64.997 63.100 0.092 0.000 0.874 172 P CB -0.294 31.441 31.700 0.058 0.000 0.790 173 A N -0.269 122.615 122.820 0.107 0.000 1.908 173 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 173 A C 2.529 180.253 177.584 0.234 0.000 1.181 173 A CA 2.207 54.322 52.037 0.130 0.000 0.627 173 A CB -1.897 17.136 19.000 0.056 0.000 0.818 173 A HN 0.296 nan 8.150 nan 0.000 0.445 174 G N -0.926 108.001 108.800 0.212 0.000 2.408 174 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 174 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 174 G C 1.737 176.847 174.900 0.351 0.000 1.150 174 G CA 1.033 46.319 45.100 0.311 0.000 0.776 174 G HN 0.560 nan 8.290 nan 0.000 0.542 175 R N -0.748 119.898 120.500 0.245 0.000 2.075 175 R HA 0.031 4.370 4.340 -0.000 0.000 0.232 175 R C 2.200 178.649 176.300 0.248 0.000 1.126 175 R CA 1.080 57.299 56.100 0.199 0.000 0.963 175 R CB -0.449 29.921 30.300 0.118 0.000 0.858 175 R HN 0.350 nan 8.270 nan 0.000 0.435 176 F N 0.214 120.252 119.950 0.146 0.000 2.095 176 F HA -0.286 4.241 4.527 -0.000 0.000 0.298 176 F C 2.028 177.930 175.800 0.170 0.000 1.104 176 F CA 1.847 59.924 58.000 0.129 0.000 1.232 176 F CB -0.484 38.566 39.000 0.083 0.000 0.987 176 F HN 0.129 nan 8.300 nan 0.000 0.475 177 Y N 0.213 120.715 120.300 0.337 0.000 2.165 177 Y HA -0.319 4.230 4.550 -0.000 0.000 0.286 177 Y C 2.885 178.928 175.900 0.238 0.000 1.155 177 Y CA 2.394 60.656 58.100 0.270 0.000 1.164 177 Y CB -1.254 37.313 38.460 0.179 0.000 0.978 177 Y HN 0.312 nan 8.280 nan 0.000 0.513 178 H N -0.152 118.836 119.070 -0.137 0.000 2.321 178 H HA -0.146 4.410 4.556 -0.000 0.000 0.300 178 H C 1.258 176.555 175.328 -0.053 0.000 1.087 178 H CA 2.109 58.022 56.048 -0.225 0.000 1.319 178 H CB -0.175 29.497 29.762 -0.149 0.000 1.379 178 H HN 0.402 nan 8.280 nan 0.000 0.501 179 D N -0.208 120.173 120.400 -0.032 0.000 2.183 179 D HA -0.131 4.509 4.640 -0.000 0.000 0.203 179 D C 2.027 178.172 176.300 -0.259 0.000 0.969 179 D CA 0.651 54.570 54.000 -0.136 0.000 0.842 179 D CB -0.702 40.042 40.800 -0.092 0.000 0.957 179 D HN 0.437 nan 8.370 nan 0.000 0.484 180 Y N 0.038 120.057 120.300 -0.468 0.000 2.181 180 Y HA -0.284 4.265 4.550 -0.000 0.000 0.288 180 Y C 1.751 177.307 175.900 -0.573 0.000 1.146 180 Y CA 1.662 59.430 58.100 -0.553 0.000 1.164 180 Y CB -0.322 37.794 38.460 -0.574 0.000 0.982 180 Y HN 0.003 nan 8.280 nan 0.000 0.515 181 Y N -0.020 120.098 120.300 -0.303 0.000 2.490 181 Y HA 0.267 4.816 4.550 -0.000 0.000 0.285 181 Y C 1.371 177.021 175.900 -0.417 0.000 1.117 181 Y CA 0.502 58.361 58.100 -0.402 0.000 1.262 181 Y CB -0.076 38.084 38.460 -0.500 0.000 1.043 181 Y HN 0.189 nan 8.280 nan 0.000 0.553 182 G N 1.065 109.714 108.800 -0.251 0.000 2.712 182 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.686 182 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.686 182 G C 0.504 175.269 174.900 -0.224 0.000 1.321 182 G CA -0.060 44.891 45.100 -0.249 0.000 0.813 182 G HN 0.430 nan 8.290 nan 0.000 0.599 183 E N 0.274 120.397 120.200 -0.128 0.000 2.152 183 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 183 E C 1.818 178.457 176.600 0.065 0.000 0.983 183 E CA 1.005 57.442 56.400 0.061 0.000 0.818 183 E CB -0.115 29.668 29.700 0.139 0.000 0.758 183 E HN 0.388 nan 8.360 nan 0.000 0.467 184 N N 1.188 119.874 118.700 -0.022 0.000 2.166 184 N HA -0.146 4.593 4.740 -0.000 0.000 0.186 184 N C 1.899 177.376 175.510 -0.056 0.000 1.019 184 N CA 0.929 53.980 53.050 0.001 0.000 0.856 184 N CB -0.406 38.091 38.487 0.016 0.000 0.993 184 N HN 0.205 nan 8.380 nan 0.000 0.426 185 L N 0.611 121.684 121.223 -0.250 0.000 1.997 185 L HA -0.167 4.173 4.340 -0.000 0.000 0.216 185 L C 1.683 178.346 176.870 -0.344 0.000 1.074 185 L CA 1.752 56.338 54.840 -0.423 0.000 0.763 185 L CB -0.964 40.604 42.059 -0.818 0.000 0.890 185 L HN 0.006 nan 8.230 nan 0.000 0.434 186 F N -0.510 119.448 119.950 0.012 0.000 2.259 186 F HA -0.002 4.525 4.527 -0.000 0.000 0.298 186 F C 2.545 178.464 175.800 0.200 0.000 1.088 186 F CA 0.991 59.059 58.000 0.113 0.000 1.358 186 F CB -0.654 38.393 39.000 0.078 0.000 1.040 186 F HN 0.015 nan 8.300 nan 0.000 0.505 187 R N -0.248 120.390 120.500 0.231 0.000 2.119 187 R HA -0.054 4.286 4.340 -0.000 0.000 0.222 187 R C 2.007 178.531 176.300 0.373 0.000 1.088 187 R CA 1.636 57.840 56.100 0.173 0.000 0.984 187 R CB -0.730 29.642 30.300 0.119 0.000 0.884 187 R HN 0.339 nan 8.270 nan 0.000 0.447 188 T N -1.854 112.863 114.554 0.272 0.000 3.129 188 T HA -0.030 4.320 4.350 -0.000 0.000 0.251 188 T C 0.451 175.331 174.700 0.300 0.000 1.117 188 T CA 0.070 62.344 62.100 0.291 0.000 1.034 188 T CB 0.048 69.066 68.868 0.251 0.000 0.968 188 T HN -0.113 nan 8.240 nan 0.000 0.526 189 D N 1.692 122.269 120.400 0.295 0.000 2.558 189 D HA 0.298 4.938 4.640 -0.000 0.000 0.221 189 D C -0.211 176.202 176.300 0.188 0.000 1.143 189 D CA -0.249 53.892 54.000 0.235 0.000 1.010 189 D CB -0.344 40.681 40.800 0.374 0.000 1.068 189 D HN 0.436 nan 8.370 nan 0.000 0.511 190 M N 0.957 120.590 119.600 0.054 0.000 2.528 190 M HA 0.505 4.985 4.480 -0.000 0.000 0.318 190 M C 1.121 177.324 176.300 -0.162 0.000 1.195 190 M CA -1.013 54.293 55.300 0.010 0.000 1.000 190 M CB 1.935 34.529 32.600 -0.009 0.000 1.615 190 M HN 0.183 nan 8.290 nan 0.000 0.469 191 G N 0.695 109.474 108.800 -0.035 0.000 2.535 191 G HA2 0.450 4.409 3.960 -0.000 0.000 0.282 191 G HA3 0.450 4.409 3.960 -0.000 0.000 0.282 191 G C -0.488 174.442 174.900 0.050 0.000 1.350 191 G CA -0.767 44.310 45.100 -0.038 0.000 1.039 191 G HN 0.737 nan 8.290 nan 0.000 0.509 192 I N 0.130 120.739 120.570 0.065 0.000 2.668 192 I HA 0.040 4.210 4.170 -0.000 0.000 0.285 192 I C -0.200 175.983 176.117 0.110 0.000 1.168 192 I CA 0.335 61.699 61.300 0.106 0.000 1.424 192 I CB 0.482 38.512 38.000 0.050 0.000 1.377 192 I HN 0.249 nan 8.210 nan 0.000 0.560 193 E N 7.850 128.107 120.200 0.094 0.000 3.651 193 E HA 0.168 4.518 4.350 -0.000 0.000 0.220 193 E C 0.565 177.128 176.600 -0.061 0.000 1.222 193 E CA -0.229 56.182 56.400 0.017 0.000 1.114 193 E CB 0.755 30.411 29.700 -0.073 0.000 1.278 193 E HN 0.648 nan 8.360 nan 0.000 0.412 194 R N 0.263 120.756 120.500 -0.012 0.000 2.091 194 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 194 R C 2.086 178.367 176.300 -0.033 0.000 1.136 194 R CA 2.274 58.363 56.100 -0.019 0.000 0.959 194 R CB -0.076 30.223 30.300 -0.003 0.000 0.856 194 R HN 0.317 nan 8.270 nan 0.000 0.437 195 T N -2.392 112.145 114.554 -0.029 0.000 2.995 195 T HA -0.002 4.348 4.350 -0.000 0.000 0.269 195 T C 1.799 176.461 174.700 -0.063 0.000 1.091 195 T CA 1.460 63.545 62.100 -0.026 0.000 1.128 195 T CB 0.073 68.942 68.868 0.002 0.000 0.891 195 T HN 0.087 nan 8.240 nan 0.000 0.492 196 S N 0.547 116.161 115.700 -0.145 0.000 2.404 196 S HA 0.331 4.801 4.470 -0.000 0.000 0.223 196 S C 1.418 175.861 174.600 -0.262 0.000 1.040 196 S CA 0.224 58.260 58.200 -0.274 0.000 0.957 196 S CB -0.022 62.734 63.200 -0.740 0.000 0.826 196 S HN 0.315 nan 8.310 nan 0.000 0.491 197 L N -0.519 120.579 121.223 -0.209 0.000 3.066 197 L HA 0.457 4.796 4.340 -0.000 0.000 0.272 197 L C 0.855 177.763 176.870 0.064 0.000 1.101 197 L CA 1.293 56.051 54.840 -0.136 0.000 1.022 197 L CB 0.059 42.012 42.059 -0.177 0.000 1.600 197 L HN 0.464 nan 8.230 nan 0.000 0.559 198 G N -0.031 108.806 108.800 0.062 0.000 2.548 198 G HA2 0.033 3.993 3.960 -0.000 0.000 0.208 198 G HA3 0.033 3.993 3.960 -0.000 0.000 0.208 198 G C -0.657 174.247 174.900 0.007 0.000 1.308 198 G CA -0.097 45.062 45.100 0.097 0.000 0.924 198 G HN 0.644 nan 8.290 nan 0.000 0.540 199 S N -1.414 114.182 115.700 -0.174 0.000 2.548 199 S HA 0.579 5.049 4.470 -0.000 0.000 0.276 199 S C 0.892 175.018 174.600 -0.790 0.000 1.129 199 S CA 0.485 58.384 58.200 -0.502 0.000 0.931 199 S CB 1.666 64.732 63.200 -0.224 0.000 1.068 199 S HN 2.019 nan 8.310 nan 0.000 0.480 200 L N 4.658 125.183 121.223 -1.163 0.000 1.989 200 L HA 0.109 4.449 4.340 -0.000 0.000 0.211 200 L C 1.683 178.167 176.870 -0.643 0.000 1.071 200 L CA 2.014 56.414 54.840 -0.733 0.000 0.749 200 L CB -0.807 41.016 42.059 -0.393 0.000 0.890 200 L HN 0.805 nan 8.230 nan 0.000 0.431 201 L N -0.400 120.585 121.223 -0.396 0.000 2.201 201 L HA -0.135 4.205 4.340 -0.000 0.000 0.212 201 L C 1.786 178.472 176.870 -0.307 0.000 1.105 201 L CA 1.373 56.052 54.840 -0.269 0.000 0.775 201 L CB -0.869 41.187 42.059 -0.005 0.000 0.913 201 L HN 0.328 nan 8.230 nan 0.000 0.440 202 D N -2.130 118.130 120.400 -0.233 0.000 2.354 202 D HA 0.014 4.654 4.640 -0.000 0.000 0.209 202 D C 0.178 176.563 176.300 0.142 0.000 1.015 202 D CA 0.140 54.166 54.000 0.042 0.000 0.867 202 D CB 0.034 40.856 40.800 0.037 0.000 0.933 202 D HN 0.323 nan 8.370 nan 0.000 0.520 203 H N 0.170 119.250 119.070 0.017 0.000 2.826 203 H HA -0.123 4.433 4.556 -0.000 0.000 0.306 203 H C 0.148 175.465 175.328 -0.018 0.000 1.235 203 H CA 1.136 57.185 56.048 0.002 0.000 1.150 203 H CB -2.472 27.295 29.762 0.008 0.000 1.409 203 H HN 0.264 nan 8.280 nan 0.000 0.420 204 T N -3.412 111.172 114.554 0.050 0.000 2.940 204 T HA 0.672 5.022 4.350 -0.000 0.000 0.288 204 T C 1.144 175.894 174.700 0.084 0.000 1.045 204 T CA 0.172 62.293 62.100 0.035 0.000 1.018 204 T CB 3.229 72.102 68.868 0.008 0.000 1.151 204 T HN 0.850 nan 8.240 nan 0.000 0.529 205 G N 0.902 109.724 108.800 0.036 0.000 2.566 205 G HA2 -0.033 3.926 3.960 -0.000 0.000 0.280 205 G HA3 -0.033 3.926 3.960 -0.000 0.000 0.280 205 G C 1.225 176.131 174.900 0.010 0.000 1.225 205 G CA 0.829 45.945 45.100 0.026 0.000 0.966 205 G HN 1.782 nan 8.290 nan 0.000 0.560 206 A N -1.188 121.603 122.820 -0.049 0.000 1.986 206 A HA 0.172 4.492 4.320 -0.000 0.000 0.220 206 A C 2.272 179.740 177.584 -0.193 0.000 1.171 206 A CA 2.608 54.546 52.037 -0.166 0.000 0.640 206 A CB -0.502 18.317 19.000 -0.302 0.000 0.811 206 A HN 0.870 nan 8.150 nan 0.000 0.451 207 F N 0.160 120.059 119.950 -0.086 0.000 2.102 207 F HA -0.036 4.491 4.527 -0.000 0.000 0.298 207 F C 2.696 178.488 175.800 -0.013 0.000 1.105 207 F CA 1.169 59.131 58.000 -0.063 0.000 1.239 207 F CB -0.969 37.965 39.000 -0.110 0.000 0.991 207 F HN 0.283 nan 8.300 nan 0.000 0.474 208 G N -0.179 108.716 108.800 0.159 0.000 2.459 208 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.217 208 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.217 208 G C 1.512 176.434 174.900 0.037 0.000 1.183 208 G CA 1.077 46.216 45.100 0.065 0.000 0.776 208 G HN 0.364 nan 8.290 nan 0.000 0.552 209 E N 0.169 120.379 120.200 0.017 0.000 2.049 209 E HA -0.177 4.172 4.350 -0.000 0.000 0.198 209 E C 2.722 179.367 176.600 0.075 0.000 1.007 209 E CA 1.236 57.644 56.400 0.013 0.000 0.809 209 E CB -0.301 29.379 29.700 -0.033 0.000 0.749 209 E HN 0.395 nan 8.360 nan 0.000 0.450 210 S N 0.516 116.263 115.700 0.077 0.000 2.359 210 S HA -0.256 4.214 4.470 -0.000 0.000 0.223 210 S C 1.893 176.635 174.600 0.236 0.000 1.039 210 S CA 1.586 59.892 58.200 0.177 0.000 1.042 210 S CB -0.179 63.088 63.200 0.113 0.000 0.915 210 S HN 0.234 nan 8.310 nan 0.000 0.439 211 E N 0.229 120.541 120.200 0.186 0.000 2.085 211 E HA -0.174 4.175 4.350 -0.000 0.000 0.194 211 E C 2.241 178.893 176.600 0.087 0.000 0.994 211 E CA 1.247 57.742 56.400 0.160 0.000 0.801 211 E CB -0.082 29.673 29.700 0.093 0.000 0.743 211 E HN 0.514 nan 8.360 nan 0.000 0.453 212 K N -0.160 120.285 120.400 0.075 0.000 2.097 212 K HA -0.169 4.151 4.320 -0.000 0.000 0.205 212 K C 2.078 178.763 176.600 0.142 0.000 1.050 212 K CA 1.031 57.357 56.287 0.065 0.000 0.938 212 K CB -0.237 32.286 32.500 0.038 0.000 0.718 212 K HN 0.123 nan 8.250 nan 0.000 0.442 213 Y N 1.723 122.042 120.300 0.033 0.000 2.145 213 Y HA -0.224 4.326 4.550 -0.000 0.000 0.286 213 Y C 2.179 178.129 175.900 0.084 0.000 1.145 213 Y CA 1.076 59.207 58.100 0.050 0.000 1.148 213 Y CB -0.739 37.751 38.460 0.049 0.000 0.981 213 Y HN 0.043 nan 8.280 nan 0.000 0.507 214 A N 0.451 123.267 122.820 -0.007 0.000 1.917 214 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 214 A C 2.497 180.092 177.584 0.018 0.000 1.182 214 A CA 2.451 54.417 52.037 -0.119 0.000 0.633 214 A CB -1.514 17.291 19.000 -0.325 0.000 0.819 214 A HN 0.604 nan 8.150 nan 0.000 0.448 215 A N -0.672 122.175 122.820 0.045 0.000 1.873 215 A HA -0.113 4.206 4.320 -0.000 0.000 0.215 215 A C 2.242 179.858 177.584 0.054 0.000 1.186 215 A CA 1.429 53.509 52.037 0.071 0.000 0.616 215 A CB -0.465 18.568 19.000 0.055 0.000 0.823 215 A HN 0.531 nan 8.150 nan 0.000 0.442 216 R N -0.711 119.819 120.500 0.050 0.000 2.083 216 R HA -0.120 4.220 4.340 -0.000 0.000 0.237 216 R C 2.037 178.346 176.300 0.014 0.000 1.137 216 R CA 1.699 57.825 56.100 0.043 0.000 0.951 216 R CB -0.526 29.827 30.300 0.088 0.000 0.851 216 R HN 0.393 nan 8.270 nan 0.000 0.434 217 V N -0.246 119.655 119.914 -0.023 0.000 2.453 217 V HA -0.163 3.957 4.120 -0.000 0.000 0.247 217 V C 1.426 177.496 176.094 -0.041 0.000 1.048 217 V CA 1.505 63.769 62.300 -0.061 0.000 1.049 217 V CB -0.289 31.393 31.823 -0.235 0.000 0.672 217 V HN 0.188 nan 8.190 nan 0.000 0.457 218 F N 0.471 120.357 119.950 -0.106 0.000 2.765 218 F HA 0.433 4.960 4.527 -0.000 0.000 0.302 218 F C 1.735 177.394 175.800 -0.234 0.000 1.111 218 F CA 0.504 58.378 58.000 -0.210 0.000 1.359 218 F CB -0.248 38.415 39.000 -0.562 0.000 1.097 218 F HN 0.250 nan 8.300 nan 0.000 0.577 219 G N 1.108 109.895 108.800 -0.021 0.000 2.246 219 G HA2 -0.059 3.900 3.960 -0.000 0.000 0.273 219 G HA3 -0.059 3.900 3.960 -0.000 0.000 0.273 219 G C 0.104 174.999 174.900 -0.009 0.000 1.055 219 G CA 0.087 45.170 45.100 -0.028 0.000 0.851 219 G HN 0.669 nan 8.290 nan 0.000 0.500 220 A N -0.987 121.844 122.820 0.019 0.000 2.322 220 A HA 0.781 5.101 4.320 -0.000 0.000 0.327 220 A C 1.016 178.629 177.584 0.049 0.000 1.134 220 A CA 0.257 52.323 52.037 0.049 0.000 0.831 220 A CB 0.897 19.971 19.000 0.123 0.000 1.288 220 A HN 0.055 nan 8.150 nan 0.000 0.472 221 D N -0.261 120.170 120.400 0.053 0.000 2.103 221 D HA -0.008 4.632 4.640 -0.000 0.000 0.199 221 D C 0.668 176.990 176.300 0.036 0.000 0.978 221 D CA 1.386 55.424 54.000 0.064 0.000 0.829 221 D CB 0.250 41.114 40.800 0.107 0.000 0.981 221 D HN 0.506 nan 8.370 nan 0.000 0.464 222 R N -0.406 120.117 120.500 0.039 0.000 2.651 222 R HA 0.383 4.723 4.340 -0.000 0.000 0.278 222 R C -1.491 174.830 176.300 0.035 0.000 1.010 222 R CA -0.393 55.694 56.100 -0.021 0.000 0.896 222 R CB 1.923 32.189 30.300 -0.057 0.000 1.211 222 R HN -0.190 nan 8.270 nan 0.000 0.456 223 S N 2.080 117.748 115.700 -0.052 0.000 2.513 223 S HA 0.522 4.992 4.470 -0.000 0.000 0.299 223 S C -1.676 172.877 174.600 -0.078 0.000 1.087 223 S CA -0.557 57.672 58.200 0.049 0.000 1.012 223 S CB 0.897 64.141 63.200 0.073 0.000 1.044 223 S HN 0.429 nan 8.310 nan 0.000 0.485 224 W N 1.535 122.920 121.300 0.141 0.000 2.411 224 W HA 0.546 5.206 4.660 -0.000 0.000 0.317 224 W C 0.435 177.123 176.519 0.281 0.000 1.030 224 W CA -0.597 56.875 57.345 0.211 0.000 1.239 224 W CB 1.168 30.779 29.460 0.252 0.000 1.304 224 W HN 0.529 nan 8.180 nan 0.000 0.437 225 S N 2.366 118.309 115.700 0.405 0.000 2.528 225 S HA 0.617 5.087 4.470 -0.000 0.000 0.277 225 S C -0.625 174.144 174.600 0.281 0.000 1.297 225 S CA -0.223 58.027 58.200 0.082 0.000 1.052 225 S CB 0.273 63.523 63.200 0.082 0.000 0.917 225 S HN 0.281 nan 8.310 nan 0.000 0.492 226 V N 5.448 125.408 119.914 0.077 0.000 2.709 226 V HA 0.417 4.537 4.120 -0.000 0.000 0.308 226 V C 0.504 176.625 176.094 0.046 0.000 1.062 226 V CA -0.628 61.753 62.300 0.135 0.000 0.901 226 V CB 2.009 33.880 31.823 0.082 0.000 1.003 226 V HN 0.871 nan 8.190 nan 0.000 0.425 227 V N 1.967 121.918 119.914 0.062 0.000 3.176 227 V HA 0.312 4.432 4.120 -0.000 0.000 0.332 227 V C 0.174 176.275 176.094 0.013 0.000 1.414 227 V CA 0.088 62.415 62.300 0.045 0.000 1.133 227 V CB 0.798 32.672 31.823 0.085 0.000 1.088 227 V HN 0.531 nan 8.190 nan 0.000 0.473 228 V N 1.517 121.427 119.914 -0.007 0.000 3.006 228 V HA 0.767 4.887 4.120 -0.000 0.000 0.357 228 V C 1.312 177.401 176.094 -0.008 0.000 1.377 228 V CA 0.178 62.467 62.300 -0.018 0.000 1.198 228 V CB -0.820 30.980 31.823 -0.038 0.000 1.216 228 V HN 1.004 nan 8.190 nan 0.000 0.520 229 G N 1.255 110.063 108.800 0.014 0.000 2.796 229 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.226 229 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.226 229 G C 0.551 175.468 174.900 0.028 0.000 1.381 229 G CA 0.078 45.214 45.100 0.061 0.000 0.867 229 G HN 0.273 nan 8.290 nan 0.000 0.552 230 T N 0.664 115.231 114.554 0.021 0.000 3.035 230 T HA 0.048 4.398 4.350 -0.000 0.000 0.268 230 T C 2.723 177.408 174.700 -0.024 0.000 1.109 230 T CA 1.785 63.878 62.100 -0.011 0.000 1.119 230 T CB -0.247 68.594 68.868 -0.044 0.000 0.900 230 T HN 0.618 nan 8.240 nan 0.000 0.503 231 S N 1.273 116.964 115.700 -0.016 0.000 2.359 231 S HA -0.125 4.344 4.470 -0.000 0.000 0.223 231 S C 2.454 177.017 174.600 -0.061 0.000 1.039 231 S CA 1.445 59.652 58.200 0.012 0.000 1.042 231 S CB -0.908 62.326 63.200 0.057 0.000 0.915 231 S HN 0.659 nan 8.310 nan 0.000 0.439 232 G N 0.923 109.682 108.800 -0.067 0.000 2.421 232 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 232 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 232 G C 1.610 176.409 174.900 -0.169 0.000 1.171 232 G CA 1.167 46.193 45.100 -0.124 0.000 0.775 232 G HN 0.520 nan 8.290 nan 0.000 0.543 233 S N 1.152 116.795 115.700 -0.095 0.000 2.359 233 S HA -0.159 4.311 4.470 -0.000 0.000 0.224 233 S C 2.371 176.890 174.600 -0.136 0.000 1.035 233 S CA 1.377 59.532 58.200 -0.076 0.000 1.018 233 S CB -0.318 62.884 63.200 0.004 0.000 0.876 233 S HN 0.386 nan 8.310 nan 0.000 0.448 234 N N 1.130 119.776 118.700 -0.089 0.000 2.084 234 N HA -0.001 4.739 4.740 -0.000 0.000 0.190 234 N C 1.784 177.158 175.510 -0.227 0.000 1.030 234 N CA 0.922 53.934 53.050 -0.064 0.000 0.849 234 N CB -0.336 38.194 38.487 0.073 0.000 1.012 234 N HN 0.332 nan 8.380 nan 0.000 0.423 235 R N 0.065 120.371 120.500 -0.322 0.000 2.103 235 R HA -0.071 4.269 4.340 -0.000 0.000 0.242 235 R C 2.011 177.884 176.300 -0.711 0.000 1.142 235 R CA 1.662 57.408 56.100 -0.589 0.000 0.960 235 R CB -0.566 29.222 30.300 -0.853 0.000 0.858 235 R HN 0.260 nan 8.270 nan 0.000 0.439 236 T N 1.261 115.464 114.554 -0.584 0.000 2.674 236 T HA -0.123 4.227 4.350 -0.000 0.000 0.265 236 T C 1.910 176.287 174.700 -0.540 0.000 1.039 236 T CA 1.332 63.154 62.100 -0.465 0.000 1.150 236 T CB -0.179 68.461 68.868 -0.379 0.000 0.864 236 T HN 0.149 nan 8.240 nan 0.000 0.427 237 I N 0.611 120.901 120.570 -0.466 0.000 2.163 237 I HA -0.212 3.958 4.170 -0.000 0.000 0.243 237 I C 2.550 178.344 176.117 -0.537 0.000 1.085 237 I CA 1.460 62.432 61.300 -0.547 0.000 1.347 237 I CB -0.301 37.261 38.000 -0.729 0.000 1.044 237 I HN 0.268 nan 8.210 nan 0.000 0.408 238 M N -0.718 118.578 119.600 -0.507 0.000 2.132 238 M HA -0.194 4.286 4.480 -0.000 0.000 0.263 238 M C 2.341 178.393 176.300 -0.413 0.000 1.065 238 M CA 1.401 56.360 55.300 -0.568 0.000 1.122 238 M CB -0.403 31.891 32.600 -0.511 0.000 1.365 238 M HN 0.207 nan 8.290 nan 0.000 0.411 239 Q N 0.087 119.682 119.800 -0.341 0.000 2.181 239 Q HA -0.142 4.198 4.340 -0.000 0.000 0.205 239 Q C 2.083 177.924 176.000 -0.266 0.000 0.980 239 Q CA 1.897 57.559 55.803 -0.235 0.000 0.862 239 Q CB -0.342 28.330 28.738 -0.110 0.000 0.905 239 Q HN 0.578 nan 8.270 nan 0.000 0.429 240 A N -1.170 121.430 122.820 -0.366 0.000 2.067 240 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 240 A C 2.134 179.631 177.584 -0.145 0.000 1.156 240 A CA 0.793 52.642 52.037 -0.314 0.000 0.683 240 A CB -0.123 18.571 19.000 -0.509 0.000 0.808 240 A HN 0.421 nan 8.150 nan 0.000 0.455 241 C N -0.894 118.298 119.300 -0.180 0.000 3.019 241 C HA 0.521 4.981 4.460 -0.000 0.000 0.295 241 C C 0.598 175.546 174.990 -0.072 0.000 1.256 241 C CA 0.330 59.302 59.018 -0.077 0.000 1.706 241 C CB -0.864 26.838 27.740 -0.064 0.000 2.153 241 C HN 0.717 nan 8.230 nan 0.000 0.618 242 M N 0.324 119.841 119.600 -0.138 0.000 2.465 242 M HA 0.532 5.012 4.480 -0.000 0.000 0.284 242 M C -0.750 175.491 176.300 -0.099 0.000 1.212 242 M CA -0.067 55.170 55.300 -0.106 0.000 0.910 242 M CB 1.768 34.279 32.600 -0.147 0.000 1.725 242 M HN 0.109 nan 8.290 nan 0.000 0.477 243 T N -2.546 111.969 114.554 -0.065 0.000 2.841 243 T HA 0.452 4.802 4.350 -0.000 0.000 0.276 243 T C 0.425 175.097 174.700 -0.047 0.000 1.003 243 T CA 0.032 62.099 62.100 -0.056 0.000 0.995 243 T CB 1.055 69.898 68.868 -0.040 0.000 1.260 243 T HN 0.774 nan 8.240 nan 0.000 0.581 244 D N -0.669 119.708 120.400 -0.038 0.000 2.378 244 D HA -0.027 4.613 4.640 -0.000 0.000 0.227 244 D C 1.051 177.337 176.300 -0.023 0.000 1.012 244 D CA 0.351 54.333 54.000 -0.030 0.000 0.905 244 D CB -0.582 40.204 40.800 -0.022 0.000 0.895 244 D HN 0.541 nan 8.370 nan 0.000 0.532 245 N N -0.270 118.416 118.700 -0.022 0.000 2.254 245 N HA -0.007 4.733 4.740 -0.000 0.000 0.190 245 N C -0.658 174.843 175.510 -0.015 0.000 1.107 245 N CA -0.126 52.914 53.050 -0.016 0.000 0.869 245 N CB 0.418 38.897 38.487 -0.012 0.000 0.983 245 N HN -0.037 nan 8.380 nan 0.000 0.487 246 D N -0.175 120.213 120.400 -0.020 0.000 2.193 246 D HA 0.199 4.839 4.640 -0.000 0.000 0.249 246 D C -0.626 175.664 176.300 -0.017 0.000 1.034 246 D CA -0.309 53.683 54.000 -0.014 0.000 0.902 246 D CB 2.307 43.099 40.800 -0.014 0.000 1.182 246 D HN -0.251 nan 8.370 nan 0.000 0.436 247 V N 2.164 122.073 119.914 -0.009 0.000 2.439 247 V HA 0.341 4.461 4.120 -0.000 0.000 0.282 247 V C 0.145 176.240 176.094 0.002 0.000 1.039 247 V CA -0.514 61.776 62.300 -0.017 0.000 0.913 247 V CB 1.540 33.352 31.823 -0.018 0.000 0.983 247 V HN 0.375 nan 8.190 nan 0.000 0.460 248 V N 3.833 123.741 119.914 -0.010 0.000 2.823 248 V HA 0.756 4.876 4.120 -0.000 0.000 0.312 248 V C -0.632 175.456 176.094 -0.010 0.000 1.072 248 V CA -0.767 61.561 62.300 0.046 0.000 0.937 248 V CB 1.996 33.884 31.823 0.109 0.000 1.013 248 V HN 0.424 nan 8.190 nan 0.000 0.430 249 V N 4.294 124.215 119.914 0.013 0.000 2.347 249 V HA 0.549 4.668 4.120 -0.000 0.000 0.280 249 V C -0.124 175.964 176.094 -0.010 0.000 1.021 249 V CA -0.379 61.900 62.300 -0.035 0.000 0.847 249 V CB 1.271 33.067 31.823 -0.044 0.000 0.990 249 V HN 0.774 nan 8.190 nan 0.000 0.444 250 V N 3.650 123.568 119.914 0.008 0.000 2.407 250 V HA 0.315 4.435 4.120 -0.000 0.000 0.291 250 V C 0.028 176.233 176.094 0.185 0.000 1.018 250 V CA -0.741 61.629 62.300 0.116 0.000 0.842 250 V CB 1.768 33.706 31.823 0.191 0.000 0.996 250 V HN 0.890 nan 8.190 nan 0.000 0.426 251 D N 3.348 123.812 120.400 0.107 0.000 2.570 251 D HA -0.088 4.551 4.640 -0.000 0.000 0.243 251 D C 1.271 177.675 176.300 0.173 0.000 1.171 251 D CA 0.328 54.396 54.000 0.113 0.000 0.879 251 D CB 0.781 41.609 40.800 0.046 0.000 1.143 251 D HN 0.513 nan 8.370 nan 0.000 0.511 252 R N 3.433 124.034 120.500 0.168 0.000 2.120 252 R HA -0.122 4.218 4.340 -0.000 0.000 0.234 252 R C 0.456 176.811 176.300 0.092 0.000 1.123 252 R CA 0.684 56.839 56.100 0.091 0.000 0.975 252 R CB -0.327 30.000 30.300 0.045 0.000 0.866 252 R HN 0.295 nan 8.270 nan 0.000 0.446 253 N N 0.619 119.398 118.700 0.133 0.000 2.549 253 N HA 0.025 4.765 4.740 -0.000 0.000 0.267 253 N C -1.388 174.234 175.510 0.187 0.000 1.182 253 N CA -0.092 53.062 53.050 0.173 0.000 1.019 253 N CB -0.296 38.303 38.487 0.187 0.000 1.380 253 N HN 0.342 nan 8.380 nan 0.000 0.505 254 C N 1.765 121.180 119.300 0.191 0.000 2.712 254 C HA 0.508 4.968 4.460 -0.000 0.000 0.308 254 C C 0.478 175.624 174.990 0.260 0.000 1.201 254 C CA -1.384 57.758 59.018 0.207 0.000 1.554 254 C CB 0.948 28.790 27.740 0.170 0.000 2.117 254 C HN 0.627 nan 8.230 nan 0.000 0.480 255 H N 1.731 120.927 119.070 0.210 0.000 2.771 255 H HA 0.103 4.659 4.556 -0.000 0.000 0.364 255 H C 1.052 176.468 175.328 0.146 0.000 1.133 255 H CA 0.899 57.082 56.048 0.225 0.000 1.423 255 H CB 0.838 30.736 29.762 0.226 0.000 1.425 255 H HN 0.805 nan 8.280 nan 0.000 0.606 256 K N 1.312 121.431 120.400 -0.467 0.000 2.189 256 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 256 K C 2.070 178.637 176.600 -0.055 0.000 1.046 256 K CA 1.989 58.116 56.287 -0.266 0.000 0.928 256 K CB -0.014 32.276 32.500 -0.350 0.000 0.720 256 K HN 0.616 nan 8.250 nan 0.000 0.458 257 S N 0.443 116.235 115.700 0.153 0.000 2.453 257 S HA -0.038 4.431 4.470 -0.000 0.000 0.231 257 S C 1.862 176.522 174.600 0.100 0.000 1.005 257 S CA 0.468 58.779 58.200 0.184 0.000 0.949 257 S CB -0.173 63.204 63.200 0.294 0.000 0.774 257 S HN 0.096 nan 8.310 nan 0.000 0.510 258 I N 2.236 122.893 120.570 0.145 0.000 2.286 258 I HA -0.038 4.132 4.170 -0.000 0.000 0.245 258 I C 2.781 178.933 176.117 0.058 0.000 1.104 258 I CA 1.227 62.592 61.300 0.109 0.000 1.397 258 I CB -1.360 36.740 38.000 0.166 0.000 1.072 258 I HN 0.482 nan 8.210 nan 0.000 0.417 259 E N 0.990 121.222 120.200 0.053 0.000 2.110 259 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 259 E C 2.142 178.732 176.600 -0.017 0.000 0.988 259 E CA 1.159 57.577 56.400 0.030 0.000 0.804 259 E CB 0.116 29.829 29.700 0.022 0.000 0.745 259 E HN 0.521 nan 8.360 nan 0.000 0.458 260 Q N -0.404 119.374 119.800 -0.037 0.000 2.061 260 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 260 Q C 2.198 178.131 176.000 -0.112 0.000 0.984 260 Q CA 1.585 57.336 55.803 -0.086 0.000 0.846 260 Q CB -0.396 28.295 28.738 -0.078 0.000 0.902 260 Q HN 0.397 nan 8.270 nan 0.000 0.421 261 G N 0.850 109.582 108.800 -0.115 0.000 2.476 261 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 261 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 261 G C 1.357 176.176 174.900 -0.135 0.000 1.164 261 G CA 0.912 45.915 45.100 -0.161 0.000 0.768 261 G HN 0.217 nan 8.290 nan 0.000 0.560 262 L N -0.227 120.942 121.223 -0.089 0.000 2.042 262 L HA -0.110 4.229 4.340 -0.000 0.000 0.210 262 L C 3.104 179.941 176.870 -0.056 0.000 1.076 262 L CA 1.315 56.118 54.840 -0.061 0.000 0.749 262 L CB -0.344 41.713 42.059 -0.003 0.000 0.893 262 L HN 0.257 nan 8.230 nan 0.000 0.432 263 M N -0.974 118.586 119.600 -0.066 0.000 2.374 263 M HA -0.161 4.319 4.480 -0.000 0.000 0.264 263 M C 1.985 178.224 176.300 -0.102 0.000 1.067 263 M CA 1.430 56.681 55.300 -0.082 0.000 1.103 263 M CB -0.103 32.401 32.600 -0.161 0.000 1.402 263 M HN 0.271 nan 8.290 nan 0.000 0.444 264 L N -0.945 120.214 121.223 -0.107 0.000 2.416 264 L HA -0.003 4.337 4.340 -0.000 0.000 0.216 264 L C 2.521 179.348 176.870 -0.071 0.000 1.098 264 L CA 0.986 55.774 54.840 -0.086 0.000 0.840 264 L CB -0.338 41.683 42.059 -0.064 0.000 0.981 264 L HN 0.380 nan 8.230 nan 0.000 0.462 265 T N -4.805 109.697 114.554 -0.086 0.000 3.023 265 T HA 0.185 4.535 4.350 -0.000 0.000 0.249 265 T C 1.588 176.251 174.700 -0.062 0.000 1.050 265 T CA 0.639 62.688 62.100 -0.086 0.000 1.088 265 T CB 0.571 69.364 68.868 -0.127 0.000 0.946 265 T HN 0.320 nan 8.240 nan 0.000 0.480 266 G N 1.889 110.659 108.800 -0.050 0.000 2.162 266 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.260 266 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.260 266 G C 0.445 175.324 174.900 -0.034 0.000 0.976 266 G CA 0.154 45.236 45.100 -0.029 0.000 0.655 266 G HN 1.234 nan 8.290 nan 0.000 0.533 267 A N -0.255 122.533 122.820 -0.053 0.000 2.536 267 A HA 0.466 4.785 4.320 -0.000 0.000 0.234 267 A C 0.709 178.264 177.584 -0.047 0.000 1.076 267 A CA 0.666 52.670 52.037 -0.054 0.000 0.769 267 A CB 0.306 19.259 19.000 -0.077 0.000 1.020 267 A HN 0.327 nan 8.150 nan 0.000 0.508 268 K N 2.135 122.506 120.400 -0.048 0.000 2.281 268 K HA 0.396 4.716 4.320 -0.000 0.000 0.272 268 K C -2.878 173.665 176.600 -0.095 0.000 1.048 268 K CA -1.807 54.446 56.287 -0.056 0.000 0.898 268 K CB 1.356 33.830 32.500 -0.043 0.000 1.128 268 K HN 0.450 nan 8.250 nan 0.000 0.460 269 P HA 0.319 nan 4.420 nan 0.000 0.290 269 P C -0.539 176.485 177.300 -0.459 0.000 1.275 269 P CA -0.708 62.208 63.100 -0.308 0.000 0.841 269 P CB 1.544 33.012 31.700 -0.386 0.000 1.042 270 V N 3.752 123.384 119.914 -0.469 0.000 2.656 270 V HA 0.377 4.497 4.120 -0.000 0.000 0.307 270 V C -1.010 174.825 176.094 -0.432 0.000 1.051 270 V CA -0.566 61.485 62.300 -0.415 0.000 0.893 270 V CB 1.420 33.145 31.823 -0.162 0.000 0.999 270 V HN 0.361 nan 8.190 nan 0.000 0.426 271 Y N 4.507 124.817 120.300 0.017 0.000 2.341 271 Y HA 0.589 5.139 4.550 -0.000 0.000 0.337 271 Y C 0.422 176.338 175.900 0.026 0.000 1.014 271 Y CA -0.826 57.288 58.100 0.022 0.000 1.111 271 Y CB 1.440 39.911 38.460 0.019 0.000 1.194 271 Y HN 0.456 nan 8.280 nan 0.000 0.462 272 M N 3.718 123.429 119.600 0.185 0.000 2.146 272 M HA 0.300 4.779 4.480 -0.000 0.000 0.352 272 M C -0.784 175.598 176.300 0.137 0.000 1.343 272 M CA -0.481 54.900 55.300 0.135 0.000 1.115 272 M CB 0.576 33.243 32.600 0.113 0.000 1.657 272 M HN 0.319 nan 8.290 nan 0.000 0.471 273 V N 6.637 126.613 119.914 0.103 0.000 2.408 273 V HA 0.274 4.394 4.120 -0.000 0.000 0.267 273 V C -1.783 174.340 176.094 0.050 0.000 1.047 273 V CA -1.420 60.924 62.300 0.073 0.000 0.937 273 V CB 0.352 32.201 31.823 0.043 0.000 0.999 273 V HN 0.661 nan 8.190 nan 0.000 0.472 274 P HA 0.205 nan 4.420 nan 0.000 0.274 274 P C -0.040 177.214 177.300 -0.076 0.000 1.231 274 P CA -0.186 62.931 63.100 0.027 0.000 0.790 274 P CB 1.006 32.745 31.700 0.066 0.000 0.951 275 S N 2.190 117.774 115.700 -0.193 0.000 2.617 275 S HA 0.462 4.931 4.470 -0.000 0.000 0.259 275 S C 0.277 174.863 174.600 -0.024 0.000 1.301 275 S CA -0.474 57.585 58.200 -0.235 0.000 0.984 275 S CB 0.501 63.443 63.200 -0.430 0.000 0.954 275 S HN 0.738 nan 8.310 nan 0.000 0.572 276 R N -0.035 120.551 120.500 0.142 0.000 2.710 276 R HA 0.541 4.881 4.340 -0.000 0.000 0.270 276 R C -1.414 175.059 176.300 0.289 0.000 1.021 276 R CA -0.927 55.331 56.100 0.264 0.000 0.889 276 R CB 0.739 31.059 30.300 0.034 0.000 1.243 276 R HN 0.762 nan 8.270 nan 0.000 0.464 277 N N -0.033 118.744 118.700 0.129 0.000 2.906 277 N HA 0.241 4.981 4.740 -0.000 0.000 0.327 277 N C 0.470 175.852 175.510 -0.213 0.000 1.344 277 N CA -1.038 51.902 53.050 -0.182 0.000 0.823 277 N CB 0.654 38.778 38.487 -0.606 0.000 1.351 277 N HN 0.780 nan 8.380 nan 0.000 0.604 278 R N -1.341 118.940 120.500 -0.366 0.000 2.237 278 R HA -0.037 4.303 4.340 -0.000 0.000 0.219 278 R C 0.211 176.212 176.300 -0.499 0.000 1.080 278 R CA 1.131 56.965 56.100 -0.444 0.000 0.995 278 R CB -0.678 29.301 30.300 -0.535 0.000 0.875 278 R HN 0.576 nan 8.270 nan 0.000 0.462 279 Y N 0.629 120.828 120.300 -0.168 0.000 2.466 279 Y HA 0.327 4.877 4.550 -0.000 0.000 0.272 279 Y C 1.471 177.298 175.900 -0.121 0.000 1.169 279 Y CA 0.242 58.265 58.100 -0.129 0.000 1.285 279 Y CB 0.409 38.720 38.460 -0.248 0.000 1.078 279 Y HN 0.356 nan 8.280 nan 0.000 0.523 280 G N 1.078 109.850 108.800 -0.047 0.000 2.160 280 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.244 280 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.244 280 G C -0.087 174.769 174.900 -0.072 0.000 1.022 280 G CA -0.066 44.986 45.100 -0.079 0.000 0.741 280 G HN 0.336 nan 8.290 nan 0.000 0.508 281 I N 1.197 121.740 120.570 -0.046 0.000 2.365 281 I HA 0.287 4.457 4.170 -0.000 0.000 0.291 281 I C 0.796 176.994 176.117 0.135 0.000 1.004 281 I CA -1.111 60.181 61.300 -0.013 0.000 1.311 281 I CB 0.902 38.805 38.000 -0.161 0.000 1.401 281 I HN -0.078 nan 8.210 nan 0.000 0.491 282 I N 5.457 126.087 120.570 0.099 0.000 2.471 282 I HA 0.200 4.370 4.170 -0.000 0.000 0.286 282 I C 0.940 177.114 176.117 0.095 0.000 1.079 282 I CA 0.415 61.768 61.300 0.088 0.000 1.398 282 I CB 0.301 38.328 38.000 0.044 0.000 1.403 282 I HN 0.650 nan 8.210 nan 0.000 0.530 283 G N 8.040 116.782 108.800 -0.097 0.000 2.795 283 G HA2 0.659 4.619 3.960 -0.000 0.000 0.267 283 G HA3 0.659 4.619 3.960 -0.000 0.000 0.267 283 G C -2.734 171.911 174.900 -0.425 0.000 1.362 283 G CA -0.940 43.736 45.100 -0.707 0.000 1.048 283 G HN 0.413 nan 8.290 nan 0.000 0.547 284 P HA 0.257 nan 4.420 nan 0.000 0.274 284 P C -0.303 177.083 177.300 0.143 0.000 1.237 284 P CA -0.272 62.606 63.100 -0.370 0.000 0.793 284 P CB 1.175 32.542 31.700 -0.555 0.000 0.977 285 I N 1.719 122.579 120.570 0.483 0.000 2.533 285 I HA -0.007 4.163 4.170 -0.000 0.000 0.284 285 I C 0.805 177.395 176.117 0.789 0.000 1.109 285 I CA -0.088 61.518 61.300 0.510 0.000 1.412 285 I CB -0.327 37.947 38.000 0.456 0.000 1.396 285 I HN 0.238 nan 8.210 nan 0.000 0.543 286 Y N 8.564 129.016 120.300 0.253 0.000 2.379 286 Y HA 0.124 4.674 4.550 -0.000 0.000 0.337 286 Y C -1.251 174.585 175.900 -0.107 0.000 1.238 286 Y CA -2.357 55.755 58.100 0.020 0.000 1.405 286 Y CB -0.135 38.288 38.460 -0.063 0.000 1.310 286 Y HN 0.459 nan 8.280 nan 0.000 0.569 287 P HA -0.183 nan 4.420 nan 0.000 0.218 287 P C 1.025 178.232 177.300 -0.156 0.000 1.148 287 P CA 1.651 64.443 63.100 -0.514 0.000 0.822 287 P CB 0.352 31.514 31.700 -0.898 0.000 0.784 288 Q N -0.305 119.440 119.800 -0.091 0.000 2.096 288 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 288 Q C 1.997 178.013 176.000 0.027 0.000 0.982 288 Q CA 1.258 57.052 55.803 -0.016 0.000 0.850 288 Q CB -0.872 27.881 28.738 0.025 0.000 0.901 288 Q HN 0.296 nan 8.270 nan 0.000 0.422 289 E N -0.632 119.610 120.200 0.071 0.000 2.478 289 E HA -0.036 4.314 4.350 -0.000 0.000 0.198 289 E C 1.038 177.687 176.600 0.081 0.000 1.046 289 E CA 0.680 57.129 56.400 0.081 0.000 0.870 289 E CB 0.132 29.898 29.700 0.110 0.000 0.818 289 E HN 0.499 nan 8.360 nan 0.000 0.527 290 M N -0.091 119.557 119.600 0.080 0.000 2.313 290 M HA 0.069 4.548 4.480 -0.000 0.000 0.273 290 M C 0.158 176.487 176.300 0.049 0.000 1.049 290 M CA -0.054 55.297 55.300 0.085 0.000 1.004 290 M CB 0.832 33.530 32.600 0.163 0.000 1.461 290 M HN -0.256 nan 8.290 nan 0.000 0.514 291 Q N 1.140 120.955 119.800 0.025 0.000 2.352 291 Q HA 0.103 4.442 4.340 -0.000 0.000 0.260 291 Q C -1.720 174.288 176.000 0.014 0.000 0.976 291 Q CA -1.083 54.727 55.803 0.012 0.000 0.881 291 Q CB 0.501 29.237 28.738 -0.003 0.000 1.235 291 Q HN 0.012 nan 8.270 nan 0.000 0.419 292 P HA -0.246 nan 4.420 nan 0.000 0.214 292 P C 1.079 178.383 177.300 0.007 0.000 1.169 292 P CA 1.637 64.743 63.100 0.009 0.000 0.908 292 P CB 0.150 31.855 31.700 0.009 0.000 0.791 293 E N -0.814 119.389 120.200 0.006 0.000 2.204 293 E HA -0.134 4.216 4.350 -0.000 0.000 0.195 293 E C 1.537 178.140 176.600 0.006 0.000 0.990 293 E CA 1.540 57.943 56.400 0.005 0.000 0.821 293 E CB -1.875 27.827 29.700 0.003 0.000 0.750 293 E HN 0.221 nan 8.360 nan 0.000 0.477 294 T N 1.986 116.545 114.554 0.009 0.000 2.857 294 T HA 0.043 4.393 4.350 -0.000 0.000 0.266 294 T C 2.091 176.799 174.700 0.013 0.000 1.048 294 T CA 0.861 62.968 62.100 0.013 0.000 1.139 294 T CB -0.129 68.750 68.868 0.018 0.000 0.874 294 T HN 0.105 nan 8.240 nan 0.000 0.455 295 L N 0.733 121.963 121.223 0.011 0.000 2.109 295 L HA -0.072 4.267 4.340 -0.000 0.000 0.207 295 L C 3.016 179.886 176.870 0.000 0.000 1.086 295 L CA 0.940 55.784 54.840 0.006 0.000 0.760 295 L CB -0.577 41.484 42.059 0.004 0.000 0.910 295 L HN 0.170 nan 8.230 nan 0.000 0.437 296 Q N 0.483 120.284 119.800 0.002 0.000 2.061 296 Q HA -0.267 4.073 4.340 -0.000 0.000 0.204 296 Q C 2.160 178.160 176.000 -0.000 0.000 0.984 296 Q CA 1.668 57.471 55.803 -0.000 0.000 0.846 296 Q CB -0.258 28.481 28.738 0.001 0.000 0.902 296 Q HN 0.414 nan 8.270 nan 0.000 0.421 297 K N 0.965 121.367 120.400 0.003 0.000 2.063 297 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 297 K C 2.009 178.611 176.600 0.004 0.000 1.048 297 K CA 1.409 57.698 56.287 0.004 0.000 0.928 297 K CB 0.070 32.574 32.500 0.007 0.000 0.713 297 K HN 0.009 nan 8.250 nan 0.000 0.442 298 K N 0.198 120.600 120.400 0.004 0.000 2.057 298 K HA -0.097 4.223 4.320 -0.000 0.000 0.207 298 K C 2.045 178.639 176.600 -0.010 0.000 1.049 298 K CA 1.645 57.934 56.287 0.002 0.000 0.931 298 K CB -0.095 32.407 32.500 0.003 0.000 0.714 298 K HN 0.182 nan 8.250 nan 0.000 0.440 299 I N 0.407 120.969 120.570 -0.014 0.000 2.252 299 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 299 I C 2.072 178.181 176.117 -0.013 0.000 1.102 299 I CA 1.040 62.328 61.300 -0.020 0.000 1.385 299 I CB -0.070 37.919 38.000 -0.018 0.000 1.064 299 I HN 0.036 nan 8.210 nan 0.000 0.414 300 S N -0.030 115.666 115.700 -0.007 0.000 2.402 300 S HA -0.148 4.322 4.470 -0.000 0.000 0.229 300 S C 1.811 176.410 174.600 -0.002 0.000 1.021 300 S CA 1.170 59.367 58.200 -0.004 0.000 0.974 300 S CB -0.150 63.050 63.200 -0.001 0.000 0.800 300 S HN 0.453 nan 8.310 nan 0.000 0.484 301 E N 0.676 120.876 120.200 -0.001 0.000 2.364 301 E HA 0.143 4.493 4.350 -0.000 0.000 0.196 301 E C 0.535 177.137 176.600 0.003 0.000 0.990 301 E CA -0.157 56.245 56.400 0.003 0.000 0.886 301 E CB 0.298 30.001 29.700 0.006 0.000 0.866 301 E HN 0.188 nan 8.360 nan 0.000 0.493 302 S N 1.366 117.065 115.700 -0.001 0.000 2.531 302 S HA 0.055 4.524 4.470 -0.000 0.000 0.279 302 S C -1.865 172.734 174.600 -0.002 0.000 1.305 302 S CA -1.496 56.704 58.200 -0.000 0.000 1.058 302 S CB 0.757 63.949 63.200 -0.014 0.000 0.899 302 S HN -0.142 nan 8.310 nan 0.000 0.493 303 P HA -0.077 nan 4.420 nan 0.000 0.220 303 P C 0.811 178.111 177.300 -0.001 0.000 1.144 303 P CA 1.127 64.229 63.100 0.004 0.000 0.800 303 P CB 0.056 31.761 31.700 0.008 0.000 0.772 304 L N -1.953 119.267 121.223 -0.005 0.000 2.509 304 L HA 0.088 4.428 4.340 -0.000 0.000 0.222 304 L C 1.526 178.382 176.870 -0.022 0.000 1.123 304 L CA 1.446 56.279 54.840 -0.013 0.000 0.856 304 L CB -0.692 41.356 42.059 -0.018 0.000 0.985 304 L HN 0.138 nan 8.230 nan 0.000 0.456 305 T N -5.190 109.351 114.554 -0.022 0.000 3.130 305 T HA 0.059 4.408 4.350 -0.000 0.000 0.288 305 T C 1.472 176.163 174.700 -0.015 0.000 0.936 305 T CA -0.308 61.777 62.100 -0.024 0.000 0.897 305 T CB 0.181 69.027 68.868 -0.037 0.000 1.178 305 T HN 0.218 nan 8.240 nan 0.000 0.543 306 K N 2.413 122.807 120.400 -0.010 0.000 2.063 306 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 306 K C 1.206 177.803 176.600 -0.005 0.000 1.048 306 K CA 2.071 58.354 56.287 -0.006 0.000 0.928 306 K CB -0.738 31.760 32.500 -0.003 0.000 0.713 306 K HN 0.427 nan 8.250 nan 0.000 0.442 307 D N 0.662 121.059 120.400 -0.005 0.000 2.332 307 D HA -0.031 4.609 4.640 -0.000 0.000 0.244 307 D C 0.690 176.987 176.300 -0.005 0.000 1.136 307 D CA 0.358 54.355 54.000 -0.004 0.000 0.884 307 D CB 0.297 41.095 40.800 -0.003 0.000 0.906 307 D HN 0.310 nan 8.370 nan 0.000 0.520 308 K N -0.361 120.035 120.400 -0.006 0.000 2.477 308 K HA 0.312 4.632 4.320 -0.000 0.000 0.208 308 K C 0.250 176.846 176.600 -0.006 0.000 1.117 308 K CA -0.320 55.963 56.287 -0.007 0.000 1.039 308 K CB 1.414 33.908 32.500 -0.010 0.000 0.937 308 K HN 0.124 nan 8.250 nan 0.000 0.570 309 A N 0.831 123.647 122.820 -0.006 0.000 2.584 309 A HA 0.281 4.600 4.320 -0.000 0.000 0.239 309 A C 1.315 178.897 177.584 -0.002 0.000 1.043 309 A CA 1.598 53.633 52.037 -0.005 0.000 0.756 309 A CB -0.466 18.532 19.000 -0.003 0.000 0.963 309 A HN 0.612 nan 8.150 nan 0.000 0.511 310 G N 0.582 109.381 108.800 -0.002 0.000 2.268 310 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.240 310 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.240 310 G C 0.483 175.384 174.900 0.001 0.000 1.010 310 G CA 0.542 45.642 45.100 0.000 0.000 0.618 310 G HN 1.235 nan 8.290 nan 0.000 0.516 311 Q N 1.237 121.037 119.800 0.000 0.000 2.311 311 Q HA 0.363 4.703 4.340 -0.000 0.000 0.272 311 Q C 0.555 176.557 176.000 0.003 0.000 1.012 311 Q CA -0.147 55.658 55.803 0.002 0.000 0.891 311 Q CB 0.377 29.115 28.738 0.000 0.000 1.201 311 Q HN 0.427 nan 8.270 nan 0.000 0.391 312 K N 5.452 125.856 120.400 0.007 0.000 2.416 312 K HA 0.178 4.497 4.320 -0.000 0.000 0.283 312 K C -2.314 174.295 176.600 0.014 0.000 1.037 312 K CA -1.379 54.915 56.287 0.011 0.000 0.995 312 K CB 0.464 32.972 32.500 0.015 0.000 0.938 312 K HN 0.387 nan 8.250 nan 0.000 0.475 313 P HA -0.015 nan 4.420 nan 0.000 0.271 313 P C -0.163 177.165 177.300 0.045 0.000 1.216 313 P CA -0.160 62.954 63.100 0.024 0.000 0.776 313 P CB 1.170 32.878 31.700 0.013 0.000 0.881 314 S N 1.589 117.331 115.700 0.069 0.000 2.528 314 S HA 0.077 4.547 4.470 -0.000 0.000 0.219 314 S C 0.041 174.751 174.600 0.184 0.000 0.985 314 S CA 0.258 58.517 58.200 0.098 0.000 0.914 314 S CB -0.493 62.751 63.200 0.073 0.000 0.776 314 S HN 0.562 nan 8.310 nan 0.000 0.526 315 Y N -0.575 119.724 120.300 -0.002 0.000 2.521 315 Y HA 0.522 5.071 4.550 -0.000 0.000 0.332 315 Y C -1.795 174.095 175.900 -0.016 0.000 1.121 315 Y CA -1.383 56.718 58.100 0.001 0.000 1.037 315 Y CB 1.291 39.740 38.460 -0.018 0.000 1.330 315 Y HN 0.172 nan 8.280 nan 0.000 0.452 316 C N 6.680 125.601 119.300 -0.632 0.000 2.481 316 C HA 0.833 5.293 4.460 -0.000 0.000 0.324 316 C C -1.642 172.867 174.990 -0.802 0.000 1.170 316 C CA -0.598 58.090 59.018 -0.551 0.000 1.361 316 C CB 0.549 28.110 27.740 -0.299 0.000 1.977 316 C HN 0.801 nan 8.230 nan 0.000 0.459 317 V N 7.202 126.784 119.914 -0.553 0.000 2.540 317 V HA 0.832 4.951 4.120 -0.000 0.000 0.302 317 V C -0.936 174.965 176.094 -0.321 0.000 1.035 317 V CA -0.141 61.889 62.300 -0.452 0.000 0.873 317 V CB 2.038 33.746 31.823 -0.191 0.000 0.992 317 V HN 0.761 nan 8.190 nan 0.000 0.428 318 V N 5.013 124.685 119.914 -0.402 0.000 2.588 318 V HA 0.434 4.554 4.120 -0.000 0.000 0.304 318 V C 0.153 176.140 176.094 -0.177 0.000 1.042 318 V CA -0.522 61.608 62.300 -0.283 0.000 0.877 318 V CB 2.356 33.951 31.823 -0.380 0.000 0.996 318 V HN 0.920 nan 8.190 nan 0.000 0.425 319 T N 4.486 118.985 114.554 -0.091 0.000 2.738 319 T HA 0.273 4.622 4.350 -0.000 0.000 0.294 319 T C -0.126 174.581 174.700 0.012 0.000 0.914 319 T CA 0.148 62.230 62.100 -0.030 0.000 1.052 319 T CB -0.276 68.591 68.868 -0.001 0.000 0.897 319 T HN 0.641 nan 8.240 nan 0.000 0.522 320 N N 2.328 121.042 118.700 0.024 0.000 2.371 320 N HA 0.369 5.109 4.740 -0.000 0.000 0.291 320 N C -0.090 175.320 175.510 -0.165 0.000 1.053 320 N CA -0.788 52.261 53.050 -0.001 0.000 0.870 320 N CB 0.823 39.335 38.487 0.041 0.000 1.503 320 N HN 0.705 nan 8.380 nan 0.000 0.485 321 C N 1.302 120.250 119.300 -0.587 0.000 2.553 321 C HA 0.797 5.256 4.460 -0.000 0.000 0.345 321 C C 1.347 176.207 174.990 -0.218 0.000 1.369 321 C CA -0.558 58.166 59.018 -0.489 0.000 2.447 321 C CB -0.343 26.933 27.740 -0.773 0.000 2.358 321 C HN 0.770 nan 8.230 nan 0.000 0.676 322 T N -1.102 113.361 114.554 -0.150 0.000 2.788 322 T HA 0.268 4.618 4.350 -0.000 0.000 0.287 322 T C 0.531 175.095 174.700 -0.226 0.000 1.007 322 T CA 0.035 62.034 62.100 -0.168 0.000 1.005 322 T CB 0.170 69.031 68.868 -0.012 0.000 1.012 322 T HN 0.722 nan 8.240 nan 0.000 0.530 323 Y N 0.711 120.971 120.300 -0.065 0.000 2.151 323 Y HA -0.074 4.476 4.550 -0.000 0.000 0.284 323 Y C 2.073 177.848 175.900 -0.208 0.000 1.166 323 Y CA 1.771 59.705 58.100 -0.276 0.000 1.163 323 Y CB -0.778 37.575 38.460 -0.179 0.000 0.974 323 Y HN 0.678 nan 8.280 nan 0.000 0.511 324 D N -1.290 119.167 120.400 0.095 0.000 2.319 324 D HA 0.252 4.892 4.640 -0.000 0.000 0.230 324 D C 1.388 177.810 176.300 0.203 0.000 1.094 324 D CA 0.819 54.900 54.000 0.134 0.000 0.856 324 D CB 0.029 40.929 40.800 0.167 0.000 0.915 324 D HN 0.419 nan 8.370 nan 0.000 0.517 325 G N 0.028 108.892 108.800 0.108 0.000 2.132 325 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.234 325 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.234 325 G C 0.195 175.162 174.900 0.112 0.000 0.989 325 G CA -0.290 44.880 45.100 0.116 0.000 0.676 325 G HN 0.284 nan 8.290 nan 0.000 0.522 326 V N 1.034 120.999 119.914 0.084 0.000 2.427 326 V HA 0.360 4.479 4.120 -0.000 0.000 0.268 326 V C 0.972 176.991 176.094 -0.125 0.000 1.046 326 V CA -0.217 62.090 62.300 0.011 0.000 0.970 326 V CB 0.837 32.633 31.823 -0.045 0.000 1.001 326 V HN 0.476 nan 8.190 nan 0.000 0.476 327 C N 5.754 124.996 119.300 -0.096 0.000 2.281 327 C HA 0.538 4.998 4.460 -0.000 0.000 0.325 327 C C 0.093 175.053 174.990 -0.050 0.000 1.282 327 C CA -1.373 57.595 59.018 -0.083 0.000 1.640 327 C CB -0.503 27.273 27.740 0.061 0.000 2.288 327 C HN 0.742 nan 8.230 nan 0.000 0.507 328 Y N 1.777 121.961 120.300 -0.193 0.000 2.397 328 Y HA 0.080 4.630 4.550 -0.000 0.000 0.335 328 Y C 1.285 176.947 175.900 -0.396 0.000 1.213 328 Y CA 0.334 58.188 58.100 -0.411 0.000 1.391 328 Y CB 0.415 38.587 38.460 -0.481 0.000 1.293 328 Y HN 0.637 nan 8.280 nan 0.000 0.557 329 N N 2.409 120.803 118.700 -0.510 0.000 2.434 329 N HA 0.022 4.762 4.740 -0.000 0.000 0.273 329 N C 0.467 175.663 175.510 -0.522 0.000 1.210 329 N CA 0.317 52.925 53.050 -0.737 0.000 0.992 329 N CB 0.661 38.852 38.487 -0.492 0.000 1.355 329 N HN 0.862 nan 8.380 nan 0.000 0.495 330 A N 4.100 126.636 122.820 -0.474 0.000 1.969 330 A HA -0.134 4.185 4.320 -0.000 0.000 0.218 330 A C 2.142 179.535 177.584 -0.319 0.000 1.169 330 A CA 1.093 52.842 52.037 -0.480 0.000 0.635 330 A CB -0.255 18.294 19.000 -0.750 0.000 0.810 330 A HN 0.702 nan 8.150 nan 0.000 0.445 331 K N -0.195 120.028 120.400 -0.295 0.000 2.020 331 K HA -0.211 4.109 4.320 -0.000 0.000 0.212 331 K C 1.846 178.412 176.600 -0.056 0.000 1.050 331 K CA 1.808 57.994 56.287 -0.169 0.000 0.929 331 K CB -0.113 32.284 32.500 -0.172 0.000 0.714 331 K HN 0.397 nan 8.250 nan 0.000 0.443 332 E N -0.038 120.144 120.200 -0.030 0.000 2.106 332 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 332 E C 1.955 178.710 176.600 0.260 0.000 0.984 332 E CA 1.102 57.590 56.400 0.146 0.000 0.806 332 E CB -0.183 29.689 29.700 0.288 0.000 0.750 332 E HN 0.452 nan 8.360 nan 0.000 0.458 333 A N 1.334 124.234 122.820 0.133 0.000 1.930 333 A HA -0.229 4.090 4.320 -0.000 0.000 0.217 333 A C 2.196 179.921 177.584 0.235 0.000 1.175 333 A CA 1.631 53.812 52.037 0.239 0.000 0.627 333 A CB -0.525 18.498 19.000 0.039 0.000 0.815 333 A HN 0.239 nan 8.150 nan 0.000 0.443 334 Q N -0.314 119.615 119.800 0.215 0.000 2.045 334 Q HA -0.270 4.070 4.340 -0.000 0.000 0.206 334 Q C 1.740 177.811 176.000 0.117 0.000 0.991 334 Q CA 1.989 57.914 55.803 0.203 0.000 0.851 334 Q CB -0.320 28.514 28.738 0.160 0.000 0.911 334 Q HN 0.659 nan 8.270 nan 0.000 0.418 335 D N -0.045 120.415 120.400 0.099 0.000 2.157 335 D HA -0.219 4.421 4.640 -0.000 0.000 0.191 335 D C 2.026 178.373 176.300 0.078 0.000 1.004 335 D CA 1.532 55.579 54.000 0.077 0.000 0.854 335 D CB -0.097 40.750 40.800 0.078 0.000 0.936 335 D HN 0.312 nan 8.370 nan 0.000 0.446 336 L N 0.234 121.524 121.223 0.112 0.000 2.005 336 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 336 L C 2.773 179.685 176.870 0.069 0.000 1.072 336 L CA 0.626 55.522 54.840 0.093 0.000 0.744 336 L CB -0.420 41.717 42.059 0.130 0.000 0.895 336 L HN 0.080 nan 8.230 nan 0.000 0.433 337 L N 0.045 121.313 121.223 0.075 0.000 2.141 337 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 337 L C 2.606 179.480 176.870 0.007 0.000 1.094 337 L CA 1.138 55.993 54.840 0.026 0.000 0.763 337 L CB -0.510 41.541 42.059 -0.014 0.000 0.908 337 L HN 0.414 nan 8.230 nan 0.000 0.437 338 E N 0.494 120.707 120.200 0.022 0.000 2.409 338 E HA -0.237 4.113 4.350 -0.000 0.000 0.198 338 E C 1.762 178.371 176.600 0.016 0.000 1.024 338 E CA 0.848 57.257 56.400 0.015 0.000 0.861 338 E CB -0.097 29.618 29.700 0.026 0.000 0.788 338 E HN 0.438 nan 8.360 nan 0.000 0.521 339 K N 0.287 120.698 120.400 0.019 0.000 2.217 339 K HA -0.014 4.305 4.320 -0.000 0.000 0.202 339 K C 1.834 178.441 176.600 0.011 0.000 1.051 339 K CA 1.642 57.939 56.287 0.016 0.000 0.952 339 K CB 0.154 32.665 32.500 0.018 0.000 0.736 339 K HN 0.093 nan 8.250 nan 0.000 0.453 340 T N -0.565 113.993 114.554 0.007 0.000 2.983 340 T HA 0.019 4.368 4.350 -0.000 0.000 0.250 340 T C 0.705 175.406 174.700 0.001 0.000 1.037 340 T CA 0.429 62.530 62.100 0.002 0.000 1.142 340 T CB 0.340 69.207 68.868 -0.003 0.000 0.876 340 T HN 0.064 nan 8.240 nan 0.000 0.455 341 S N 0.184 115.881 115.700 -0.005 0.000 2.536 341 S HA 0.344 4.814 4.470 -0.000 0.000 0.287 341 S C -0.526 174.078 174.600 0.006 0.000 1.101 341 S CA -0.733 57.466 58.200 -0.001 0.000 0.950 341 S CB 1.543 64.728 63.200 -0.025 0.000 1.056 341 S HN -0.002 nan 8.310 nan 0.000 0.481 342 D N 1.993 122.409 120.400 0.027 0.000 2.347 342 D HA 0.159 4.798 4.640 -0.000 0.000 0.213 342 D C -0.047 176.284 176.300 0.052 0.000 0.985 342 D CA 0.658 54.680 54.000 0.037 0.000 0.879 342 D CB 0.196 41.024 40.800 0.046 0.000 0.919 342 D HN 0.336 nan 8.370 nan 0.000 0.526 343 R N 0.241 120.781 120.500 0.066 0.000 2.388 343 R HA 0.462 4.802 4.340 -0.000 0.000 0.314 343 R C -0.696 175.607 176.300 0.006 0.000 0.959 343 R CA -0.225 55.953 56.100 0.129 0.000 0.851 343 R CB 1.553 32.028 30.300 0.291 0.000 1.168 343 R HN -0.115 nan 8.270 nan 0.000 0.472 344 L N 2.741 123.958 121.223 -0.010 0.000 2.296 344 L HA 0.460 4.800 4.340 -0.000 0.000 0.286 344 L C -0.107 176.718 176.870 -0.076 0.000 1.023 344 L CA -0.640 54.081 54.840 -0.197 0.000 0.812 344 L CB 1.489 43.392 42.059 -0.260 0.000 1.223 344 L HN 0.618 nan 8.230 nan 0.000 0.421 345 H N 3.907 122.731 119.070 -0.410 0.000 2.638 345 H HA 0.379 4.935 4.556 -0.000 0.000 0.317 345 H C -1.433 173.676 175.328 -0.366 0.000 1.006 345 H CA -0.809 55.127 56.048 -0.186 0.000 1.222 345 H CB 0.980 30.659 29.762 -0.139 0.000 1.419 345 H HN 0.393 nan 8.280 nan 0.000 0.489 346 F N 3.693 123.709 119.950 0.110 0.000 2.371 346 F HA 0.065 4.592 4.527 -0.000 0.000 0.363 346 F C 0.597 176.353 175.800 -0.073 0.000 1.122 346 F CA -0.741 57.225 58.000 -0.056 0.000 1.129 346 F CB 0.821 39.833 39.000 0.019 0.000 1.173 346 F HN 0.571 nan 8.300 nan 0.000 0.489 347 D N 4.177 124.491 120.400 -0.144 0.000 2.435 347 D HA 0.028 4.667 4.640 -0.000 0.000 0.230 347 D C 0.207 176.580 176.300 0.121 0.000 1.215 347 D CA 0.177 54.135 54.000 -0.069 0.000 0.947 347 D CB 0.211 40.900 40.800 -0.186 0.000 1.048 347 D HN 0.622 nan 8.370 nan 0.000 0.512 348 E N 2.188 122.541 120.200 0.256 0.000 2.411 348 E HA 0.169 4.519 4.350 -0.000 0.000 0.204 348 E C 1.362 178.175 176.600 0.354 0.000 1.059 348 E CA -0.365 56.252 56.400 0.362 0.000 1.112 348 E CB 0.634 30.660 29.700 0.543 0.000 1.168 348 E HN 0.461 nan 8.360 nan 0.000 0.445 349 A N 0.416 123.342 122.820 0.178 0.000 1.948 349 A HA -0.172 4.147 4.320 -0.000 0.000 0.220 349 A C 1.307 178.834 177.584 -0.095 0.000 1.177 349 A CA 1.007 53.040 52.037 -0.006 0.000 0.636 349 A CB -0.585 18.299 19.000 -0.193 0.000 0.815 349 A HN 0.497 nan 8.150 nan 0.000 0.449 350 W N -2.694 118.661 121.300 0.092 0.000 3.400 350 W HA 0.349 5.008 4.660 -0.000 0.000 0.347 350 W C 0.684 177.328 176.519 0.210 0.000 1.218 350 W CA -0.072 57.350 57.345 0.128 0.000 1.837 350 W CB -0.021 29.491 29.460 0.086 0.000 1.067 350 W HN 0.477 nan 8.180 nan 0.000 0.701 351 Y N -1.150 119.151 120.300 0.002 0.000 2.863 351 Y HA 0.223 4.773 4.550 -0.000 0.000 0.254 351 Y C 1.833 177.268 175.900 -0.775 0.000 1.124 351 Y CA -0.046 57.785 58.100 -0.449 0.000 1.203 351 Y CB 0.184 38.501 38.460 -0.238 0.000 1.269 351 Y HN -0.074 nan 8.280 nan 0.000 0.586 352 G N 0.120 108.587 108.800 -0.555 0.000 2.559 352 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.216 352 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.216 352 G C 0.928 175.586 174.900 -0.403 0.000 1.126 352 G CA 1.274 45.840 45.100 -0.889 0.000 0.778 352 G HN 0.689 nan 8.290 nan 0.000 0.543 353 Y N -1.399 118.743 120.300 -0.263 0.000 2.500 353 Y HA 0.600 5.150 4.550 -0.000 0.000 0.270 353 Y C 2.481 178.155 175.900 -0.376 0.000 1.134 353 Y CA -0.221 57.824 58.100 -0.092 0.000 1.293 353 Y CB -0.492 37.931 38.460 -0.061 0.000 1.063 353 Y HN 0.101 nan 8.280 nan 0.000 0.534 354 A N 2.100 124.143 122.820 -1.296 0.000 1.917 354 A HA -0.284 4.036 4.320 -0.000 0.000 0.219 354 A C 2.403 179.255 177.584 -1.221 0.000 1.182 354 A CA 2.051 53.201 52.037 -1.477 0.000 0.633 354 A CB -0.865 16.862 19.000 -2.121 0.000 0.819 354 A HN 0.546 nan 8.150 nan 0.000 0.448 355 R N -1.320 118.203 120.500 -1.629 0.000 2.154 355 R HA -0.189 4.151 4.340 -0.000 0.000 0.248 355 R C 1.186 176.861 176.300 -1.042 0.000 1.155 355 R CA 2.110 57.230 56.100 -1.633 0.000 0.979 355 R CB -0.378 28.931 30.300 -1.652 0.000 0.869 355 R HN 0.536 nan 8.270 nan 0.000 0.452 356 F N -0.543 119.204 119.950 -0.338 0.000 2.776 356 F HA 0.241 4.767 4.527 -0.000 0.000 0.300 356 F C 0.629 176.387 175.800 -0.071 0.000 1.116 356 F CA -0.158 57.729 58.000 -0.188 0.000 1.375 356 F CB -0.030 38.847 39.000 -0.205 0.000 1.109 356 F HN -0.075 nan 8.300 nan 0.000 0.585 357 N N 1.014 119.765 118.700 0.085 0.000 2.372 357 N HA 0.201 4.941 4.740 -0.000 0.000 0.285 357 N C -2.119 173.396 175.510 0.009 0.000 1.008 357 N CA -1.769 51.324 53.050 0.071 0.000 0.880 357 N CB 2.198 40.742 38.487 0.095 0.000 1.239 357 N HN -0.226 nan 8.380 nan 0.000 0.484 358 P HA -0.070 nan 4.420 nan 0.000 0.218 358 P C 1.551 178.819 177.300 -0.053 0.000 1.146 358 P CA 0.723 63.819 63.100 -0.006 0.000 0.813 358 P CB 0.524 32.216 31.700 -0.012 0.000 0.778 359 I N -2.033 118.417 120.570 -0.199 0.000 2.530 359 I HA -0.255 3.914 4.170 -0.000 0.000 0.257 359 I C 1.283 177.182 176.117 -0.364 0.000 1.179 359 I CA 1.395 62.498 61.300 -0.329 0.000 1.440 359 I CB -0.106 37.584 38.000 -0.517 0.000 1.087 359 I HN -0.029 nan 8.210 nan 0.000 0.440 360 Y N 0.768 121.077 120.300 0.015 0.000 2.511 360 Y HA 0.345 4.894 4.550 -0.000 0.000 0.279 360 Y C 1.497 177.590 175.900 0.321 0.000 1.157 360 Y CA -0.127 58.034 58.100 0.101 0.000 1.300 360 Y CB -0.933 37.531 38.460 0.007 0.000 1.052 360 Y HN 0.027 nan 8.280 nan 0.000 0.529 361 A N 1.294 124.323 122.820 0.348 0.000 2.602 361 A HA -0.133 4.187 4.320 -0.000 0.000 0.257 361 A C 0.819 178.570 177.584 0.280 0.000 0.973 361 A CA 1.092 53.295 52.037 0.278 0.000 0.862 361 A CB -0.600 18.483 19.000 0.139 0.000 0.855 361 A HN 0.666 nan 8.150 nan 0.000 0.492 362 D N 0.137 120.497 120.400 -0.066 0.000 2.911 362 D HA -0.175 4.464 4.640 -0.000 0.000 0.199 362 D C 0.295 176.386 176.300 -0.347 0.000 1.041 362 D CA 2.273 56.121 54.000 -0.252 0.000 1.013 362 D CB -1.366 39.345 40.800 -0.148 0.000 1.093 362 D HN 0.931 nan 8.370 nan 0.000 0.431 363 H N -0.843 118.175 119.070 -0.087 0.000 2.507 363 H HA 0.349 4.905 4.556 -0.000 0.000 0.294 363 H C 0.078 175.525 175.328 0.198 0.000 1.064 363 H CA 0.121 56.208 56.048 0.066 0.000 1.138 363 H CB -0.132 29.759 29.762 0.214 0.000 1.515 363 H HN 0.450 nan 8.280 nan 0.000 0.547 364 Y N -4.642 115.641 120.300 -0.028 0.000 2.677 364 Y HA 0.694 5.243 4.550 -0.000 0.000 0.334 364 Y C 0.778 176.523 175.900 -0.258 0.000 1.154 364 Y CA -1.202 56.834 58.100 -0.106 0.000 1.070 364 Y CB 0.778 39.138 38.460 -0.167 0.000 1.294 364 Y HN -0.165 nan 8.280 nan 0.000 0.475 365 A N 0.982 123.712 122.820 -0.150 0.000 1.855 365 A HA 0.073 4.393 4.320 -0.000 0.000 0.213 365 A C 1.129 178.661 177.584 -0.086 0.000 1.195 365 A CA 0.906 52.823 52.037 -0.199 0.000 0.610 365 A CB -0.374 18.634 19.000 0.014 0.000 0.837 365 A HN 0.665 nan 8.150 nan 0.000 0.444 366 M N 2.053 121.691 119.600 0.063 0.000 3.596 366 M HA 0.192 4.672 4.480 -0.000 0.000 0.219 366 M C -0.551 175.760 176.300 0.020 0.000 1.471 366 M CA 0.237 55.558 55.300 0.035 0.000 1.644 366 M CB -1.098 31.527 32.600 0.041 0.000 1.083 366 M HN 0.215 nan 8.290 nan 0.000 0.579 367 R N 0.355 120.756 120.500 -0.164 0.000 2.340 367 R HA 0.539 4.879 4.340 -0.000 0.000 0.300 367 R C 1.168 177.401 176.300 -0.112 0.000 1.069 367 R CA 0.299 56.254 56.100 -0.242 0.000 0.984 367 R CB 0.549 30.608 30.300 -0.402 0.000 1.003 367 R HN 0.774 nan 8.270 nan 0.000 0.459 368 G N 2.455 111.219 108.800 -0.060 0.000 2.578 368 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.275 368 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.275 368 G C -0.624 174.246 174.900 -0.049 0.000 1.271 368 G CA -0.407 44.663 45.100 -0.050 0.000 0.941 368 G HN 0.527 nan 8.290 nan 0.000 0.564 369 E N 1.904 122.076 120.200 -0.048 0.000 2.266 369 E HA 0.519 4.869 4.350 -0.000 0.000 0.277 369 E C -1.382 175.182 176.600 -0.059 0.000 1.018 369 E CA -1.227 55.147 56.400 -0.044 0.000 0.840 369 E CB 1.237 30.916 29.700 -0.034 0.000 1.082 369 E HN 0.490 nan 8.360 nan 0.000 0.395 370 P HA 0.364 nan 4.420 nan 0.000 0.282 370 P C 0.397 177.623 177.300 -0.123 0.000 1.287 370 P CA -0.218 62.833 63.100 -0.081 0.000 0.792 370 P CB 0.871 32.547 31.700 -0.040 0.000 1.163 371 G N -1.119 107.531 108.800 -0.251 0.000 2.255 371 G HA2 -0.161 3.798 3.960 -0.000 0.000 0.196 371 G HA3 -0.161 3.798 3.960 -0.000 0.000 0.196 371 G C -0.181 174.371 174.900 -0.580 0.000 0.998 371 G CA 0.056 44.937 45.100 -0.365 0.000 0.656 371 G HN 0.725 nan 8.290 nan 0.000 0.490 372 D N 0.819 120.960 120.400 -0.432 0.000 2.365 372 D HA 0.404 5.044 4.640 -0.000 0.000 0.237 372 D C 1.128 177.206 176.300 -0.370 0.000 1.190 372 D CA -0.441 53.373 54.000 -0.311 0.000 0.867 372 D CB 0.032 40.741 40.800 -0.152 0.000 1.050 372 D HN 0.388 nan 8.370 nan 0.000 0.491 373 H N 2.770 121.832 119.070 -0.012 0.000 2.526 373 H HA 0.051 4.607 4.556 -0.000 0.000 0.274 373 H C 0.286 175.609 175.328 -0.009 0.000 0.999 373 H CA -0.035 56.005 56.048 -0.013 0.000 1.157 373 H CB -0.072 29.683 29.762 -0.010 0.000 1.407 373 H HN 0.483 nan 8.280 nan 0.000 0.568 374 N N 1.218 119.943 118.700 0.043 0.000 2.663 374 N HA 0.270 5.010 4.740 -0.000 0.000 0.250 374 N C -0.188 175.330 175.510 0.012 0.000 1.129 374 N CA -0.032 53.036 53.050 0.030 0.000 0.995 374 N CB 0.268 38.766 38.487 0.018 0.000 1.324 374 N HN 0.374 nan 8.380 nan 0.000 0.512 375 G N 2.505 111.318 108.800 0.021 0.000 2.317 375 G HA2 0.151 4.111 3.960 -0.000 0.000 0.293 375 G HA3 0.151 4.111 3.960 -0.000 0.000 0.293 375 G C -3.291 171.621 174.900 0.019 0.000 1.287 375 G CA -0.712 44.397 45.100 0.014 0.000 0.850 375 G HN 0.242 nan 8.290 nan 0.000 0.515 376 P HA 0.342 nan 4.420 nan 0.000 0.274 376 P C -0.134 177.163 177.300 -0.004 0.000 1.246 376 P CA 0.102 63.210 63.100 0.014 0.000 0.795 376 P CB 0.722 32.430 31.700 0.014 0.000 1.006 377 T N 0.716 115.259 114.554 -0.019 0.000 2.794 377 T HA 0.298 4.647 4.350 -0.000 0.000 0.296 377 T C -0.045 174.556 174.700 -0.166 0.000 0.949 377 T CA -0.029 62.006 62.100 -0.108 0.000 1.101 377 T CB -0.078 68.725 68.868 -0.108 0.000 0.905 377 T HN 0.084 nan 8.240 nan 0.000 0.516 378 V N 5.043 124.809 119.914 -0.247 0.000 2.487 378 V HA 0.536 4.656 4.120 -0.000 0.000 0.298 378 V C -0.713 175.205 176.094 -0.294 0.000 1.028 378 V CA -0.999 61.222 62.300 -0.132 0.000 0.860 378 V CB 1.201 33.065 31.823 0.068 0.000 0.991 378 V HN 0.751 nan 8.190 nan 0.000 0.427 379 F N 2.501 122.517 119.950 0.110 0.000 2.443 379 F HA 0.806 5.333 4.527 -0.000 0.000 0.335 379 F C 0.483 176.439 175.800 0.260 0.000 1.104 379 F CA -0.631 57.437 58.000 0.114 0.000 1.013 379 F CB 1.875 40.859 39.000 -0.026 0.000 1.136 379 F HN 0.554 nan 8.300 nan 0.000 0.470 380 A N 1.603 124.653 122.820 0.383 0.000 2.332 380 A HA 0.651 4.971 4.320 -0.000 0.000 0.300 380 A C -0.415 177.257 177.584 0.148 0.000 1.153 380 A CA -0.723 51.498 52.037 0.307 0.000 0.764 380 A CB 0.424 19.541 19.000 0.194 0.000 1.174 380 A HN 0.733 nan 8.150 nan 0.000 0.467 381 T N 0.528 115.219 114.554 0.230 0.000 2.806 381 T HA 0.617 4.967 4.350 -0.000 0.000 0.290 381 T C -0.390 174.391 174.700 0.135 0.000 0.966 381 T CA -0.221 61.967 62.100 0.147 0.000 1.060 381 T CB 0.397 69.424 68.868 0.264 0.000 0.927 381 T HN 0.645 nan 8.240 nan 0.000 0.485 382 H N 0.724 119.899 119.070 0.174 0.000 2.529 382 H HA 0.442 4.998 4.556 -0.000 0.000 0.348 382 H C -0.375 174.965 175.328 0.019 0.000 1.079 382 H CA -1.083 55.034 56.048 0.115 0.000 1.198 382 H CB 1.575 31.444 29.762 0.179 0.000 1.521 382 H HN 0.553 nan 8.280 nan 0.000 0.514 383 S N 1.884 117.587 115.700 0.005 0.000 2.485 383 S HA -0.048 4.421 4.470 -0.000 0.000 0.312 383 S C 1.451 175.908 174.600 -0.239 0.000 1.102 383 S CA -0.278 57.777 58.200 -0.242 0.000 1.066 383 S CB 0.548 63.387 63.200 -0.602 0.000 1.102 383 S HN 0.808 nan 8.310 nan 0.000 0.519 384 T N 2.961 117.501 114.554 -0.022 0.000 3.007 384 T HA -0.104 4.246 4.350 -0.000 0.000 0.270 384 T C 0.817 175.541 174.700 0.040 0.000 1.107 384 T CA 0.930 63.075 62.100 0.074 0.000 1.118 384 T CB -0.392 68.594 68.868 0.195 0.000 0.889 384 T HN 0.840 nan 8.240 nan 0.000 0.506 388 L N -0.469 120.843 121.223 0.148 0.000 2.687 388 L HA 0.427 4.767 4.340 -0.000 0.000 0.252 388 L C 0.071 177.001 176.870 0.100 0.000 1.115 388 L CA -0.579 54.346 54.840 0.142 0.000 0.893 388 L CB 0.800 42.970 42.059 0.185 0.000 1.670 388 L HN 0.071 nan 8.230 nan 0.000 0.531 389 N N 0.232 118.984 118.700 0.088 0.000 2.546 389 N HA 0.625 5.365 4.740 -0.000 0.000 0.238 389 N C -1.185 174.366 175.510 0.069 0.000 0.984 389 N CA -0.150 52.939 53.050 0.065 0.000 0.935 389 N CB 1.426 39.935 38.487 0.036 0.000 1.122 389 N HN 0.582 nan 8.380 nan 0.000 0.510 390 A N 1.622 124.491 122.820 0.082 0.000 2.608 390 A HA 0.443 4.763 4.320 -0.000 0.000 0.292 390 A C -1.003 176.634 177.584 0.088 0.000 1.066 390 A CA -0.718 51.366 52.037 0.080 0.000 0.676 390 A CB 0.868 19.933 19.000 0.108 0.000 1.277 390 A HN 0.449 nan 8.150 nan 0.000 0.413 391 L N 1.559 122.809 121.223 0.044 0.000 2.461 391 L HA 0.214 4.554 4.340 -0.000 0.000 0.272 391 L C 0.966 177.830 176.870 -0.010 0.000 1.197 391 L CA -0.230 54.619 54.840 0.015 0.000 0.836 391 L CB 0.770 42.821 42.059 -0.013 0.000 1.105 391 L HN 0.782 nan 8.230 nan 0.000 0.477 392 S N 2.082 117.706 115.700 -0.128 0.000 2.561 392 S HA -0.073 4.397 4.470 -0.000 0.000 0.294 392 S C 0.646 175.066 174.600 -0.300 0.000 1.294 392 S CA 0.090 58.014 58.200 -0.460 0.000 1.055 392 S CB 0.583 63.564 63.200 -0.364 0.000 0.819 392 S HN 0.818 nan 8.310 nan 0.000 0.503 393 Q N -2.045 117.528 119.800 -0.378 0.000 2.476 393 Q HA -0.196 4.144 4.340 -0.000 0.000 0.154 393 Q C 0.153 176.163 176.000 0.016 0.000 0.560 393 Q CA 0.899 56.636 55.803 -0.110 0.000 1.285 393 Q CB -1.657 27.038 28.738 -0.072 0.000 1.065 393 Q HN 0.886 nan 8.270 nan 0.000 1.065 394 A N 1.281 124.144 122.820 0.072 0.000 2.450 394 A HA 0.597 4.916 4.320 -0.000 0.000 0.255 394 A C 0.142 177.781 177.584 0.092 0.000 1.096 394 A CA 0.939 53.016 52.037 0.066 0.000 0.778 394 A CB 1.186 20.223 19.000 0.061 0.000 1.031 394 A HN 0.225 nan 8.150 nan 0.000 0.494 395 S N 0.975 116.638 115.700 -0.062 0.000 2.565 395 S HA 0.701 5.170 4.470 -0.000 0.000 0.269 395 S C -1.908 172.577 174.600 -0.192 0.000 1.153 395 S CA -0.439 57.737 58.200 -0.039 0.000 0.835 395 S CB 0.775 63.986 63.200 0.020 0.000 1.122 395 S HN 0.585 nan 8.310 nan 0.000 0.462 396 Y N 1.073 121.356 120.300 -0.029 0.000 2.524 396 Y HA 0.617 5.166 4.550 -0.000 0.000 0.347 396 Y C -0.375 175.395 175.900 -0.217 0.000 1.005 396 Y CA -0.728 57.261 58.100 -0.185 0.000 1.025 396 Y CB 1.661 39.805 38.460 -0.527 0.000 1.275 396 Y HN 0.556 nan 8.280 nan 0.000 0.460 397 I N 4.363 124.986 120.570 0.089 0.000 2.330 397 I HA 0.281 4.451 4.170 -0.000 0.000 0.289 397 I C -0.711 175.420 176.117 0.023 0.000 1.001 397 I CA -0.577 60.785 61.300 0.103 0.000 1.193 397 I CB 0.616 38.758 38.000 0.237 0.000 1.345 397 I HN 0.493 nan 8.210 nan 0.000 0.461 398 H N 5.758 124.925 119.070 0.162 0.000 2.459 398 H HA 0.550 5.106 4.556 -0.000 0.000 0.332 398 H C -0.707 174.676 175.328 0.090 0.000 1.094 398 H CA -0.552 55.552 56.048 0.094 0.000 1.224 398 H CB 2.287 32.033 29.762 -0.026 0.000 1.449 398 H HN 0.204 nan 8.280 nan 0.000 0.484 399 V N 4.104 124.113 119.914 0.158 0.000 2.588 399 V HA 0.395 4.514 4.120 -0.000 0.000 0.304 399 V C 0.243 176.309 176.094 -0.048 0.000 1.042 399 V CA -0.898 61.364 62.300 -0.063 0.000 0.877 399 V CB 2.233 33.970 31.823 -0.144 0.000 0.996 399 V HN 0.635 nan 8.190 nan 0.000 0.425 400 R N 2.399 122.830 120.500 -0.116 0.000 2.343 400 R HA 0.473 4.813 4.340 -0.000 0.000 0.320 400 R C -0.552 175.701 176.300 -0.078 0.000 0.956 400 R CA -0.586 55.482 56.100 -0.053 0.000 0.836 400 R CB 1.895 32.172 30.300 -0.038 0.000 1.151 400 R HN 0.738 nan 8.270 nan 0.000 0.450 401 E N 0.891 121.117 120.200 0.045 0.000 2.316 401 E HA 0.291 4.640 4.350 -0.000 0.000 0.275 401 E C 0.219 176.896 176.600 0.128 0.000 1.029 401 E CA -0.095 56.333 56.400 0.047 0.000 0.871 401 E CB 1.496 31.211 29.700 0.025 0.000 1.022 401 E HN 0.750 nan 8.360 nan 0.000 0.418 402 G N 2.549 111.372 108.800 0.038 0.000 3.100 402 G HA2 0.253 4.213 3.960 -0.000 0.000 0.174 402 G HA3 0.253 4.213 3.960 -0.000 0.000 0.174 402 G C -0.793 174.129 174.900 0.037 0.000 1.136 402 G CA -0.846 44.290 45.100 0.059 0.000 0.881 402 G HN 0.384 nan 8.290 nan 0.000 0.616 403 R N 0.018 120.538 120.500 0.035 0.000 2.590 403 R HA 0.407 4.747 4.340 -0.000 0.000 0.274 403 R C 1.137 177.461 176.300 0.041 0.000 1.061 403 R CA 0.897 57.017 56.100 0.034 0.000 1.081 403 R CB 0.462 30.782 30.300 0.032 0.000 0.984 403 R HN 1.365 nan 8.270 nan 0.000 0.448 404 G N 0.965 109.793 108.800 0.047 0.000 2.203 404 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.263 404 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.263 404 G C 0.355 175.304 174.900 0.083 0.000 1.012 404 G CA 0.253 45.393 45.100 0.067 0.000 0.749 404 G HN 0.910 nan 8.290 nan 0.000 0.512 405 A N -0.726 122.126 122.820 0.055 0.000 2.547 405 A HA 0.539 4.858 4.320 -0.000 0.000 0.233 405 A C 0.566 178.207 177.584 0.095 0.000 1.067 405 A CA 0.654 52.720 52.037 0.049 0.000 0.763 405 A CB 0.268 19.274 19.000 0.009 0.000 1.007 405 A HN 0.947 nan 8.150 nan 0.000 0.506 406 I N 2.579 123.230 120.570 0.134 0.000 2.411 406 I HA 0.180 4.350 4.170 -0.000 0.000 0.284 406 I C 0.007 176.241 176.117 0.195 0.000 1.012 406 I CA -0.814 60.602 61.300 0.193 0.000 1.119 406 I CB 1.364 39.559 38.000 0.326 0.000 1.261 406 I HN 0.867 nan 8.210 nan 0.000 0.448 407 N N 5.309 124.114 118.700 0.175 0.000 2.288 407 N HA -0.064 4.676 4.740 -0.000 0.000 0.237 407 N C 0.730 176.431 175.510 0.318 0.000 1.311 407 N CA -0.058 53.118 53.050 0.209 0.000 0.909 407 N CB 0.486 39.072 38.487 0.164 0.000 1.167 407 N HN 0.538 nan 8.380 nan 0.000 0.476 408 F N 0.446 120.531 119.950 0.226 0.000 2.095 408 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 408 F C 2.322 178.315 175.800 0.321 0.000 1.104 408 F CA 1.882 60.083 58.000 0.335 0.000 1.232 408 F CB -0.584 38.516 39.000 0.165 0.000 0.987 408 F HN 0.501 nan 8.300 nan 0.000 0.475 409 S N 0.267 116.143 115.700 0.294 0.000 2.365 409 S HA -0.235 4.235 4.470 -0.000 0.000 0.225 409 S C 2.029 176.663 174.600 0.057 0.000 1.039 409 S CA 1.765 60.063 58.200 0.163 0.000 1.033 409 S CB -0.270 63.038 63.200 0.180 0.000 0.887 409 S HN 0.400 nan 8.310 nan 0.000 0.447 410 R N -0.621 119.932 120.500 0.089 0.000 2.066 410 R HA 0.008 4.348 4.340 -0.000 0.000 0.232 410 R C 2.082 178.383 176.300 0.001 0.000 1.131 410 R CA 1.466 57.595 56.100 0.048 0.000 0.955 410 R CB -0.511 29.835 30.300 0.077 0.000 0.851 410 R HN 0.367 nan 8.270 nan 0.000 0.432 411 F N 2.136 122.019 119.950 -0.112 0.000 2.134 411 F HA -0.187 4.340 4.527 -0.000 0.000 0.299 411 F C 2.083 177.669 175.800 -0.356 0.000 1.097 411 F CA 1.422 59.261 58.000 -0.267 0.000 1.264 411 F CB -0.223 38.567 39.000 -0.349 0.000 1.001 411 F HN -0.037 nan 8.300 nan 0.000 0.479 412 N N 0.105 118.698 118.700 -0.178 0.000 2.258 412 N HA -0.190 4.549 4.740 -0.000 0.000 0.187 412 N C 1.701 177.177 175.510 -0.057 0.000 1.012 412 N CA 1.110 54.085 53.050 -0.125 0.000 0.870 412 N CB -0.211 38.087 38.487 -0.315 0.000 0.977 412 N HN 0.342 nan 8.380 nan 0.000 0.434 413 Q N -0.276 119.453 119.800 -0.118 0.000 2.119 413 Q HA 0.055 4.395 4.340 -0.000 0.000 0.201 413 Q C 2.009 177.908 176.000 -0.167 0.000 0.972 413 Q CA 1.238 56.979 55.803 -0.103 0.000 0.847 413 Q CB -0.527 28.157 28.738 -0.089 0.000 0.903 413 Q HN 0.452 nan 8.270 nan 0.000 0.433 414 A N 0.083 122.723 122.820 -0.299 0.000 1.898 414 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 414 A C 2.020 179.423 177.584 -0.300 0.000 1.181 414 A CA 1.293 53.104 52.037 -0.377 0.000 0.620 414 A CB -0.945 17.650 19.000 -0.676 0.000 0.819 414 A HN 0.409 nan 8.150 nan 0.000 0.442 415 Y N 0.138 120.179 120.300 -0.432 0.000 2.128 415 Y HA -0.265 4.285 4.550 -0.000 0.000 0.284 415 Y C 2.380 178.253 175.900 -0.044 0.000 1.154 415 Y CA 2.466 60.454 58.100 -0.186 0.000 1.149 415 Y CB -0.235 38.233 38.460 0.014 0.000 0.976 415 Y HN 0.275 nan 8.280 nan 0.000 0.505 416 M N -1.133 118.563 119.600 0.161 0.000 2.254 416 M HA -0.150 4.330 4.480 -0.000 0.000 0.265 416 M C 2.271 178.513 176.300 -0.096 0.000 1.066 416 M CA 1.418 56.774 55.300 0.095 0.000 1.123 416 M CB -0.227 32.441 32.600 0.114 0.000 1.388 416 M HN 0.444 nan 8.290 nan 0.000 0.425 417 M N 0.210 119.699 119.600 -0.184 0.000 2.143 417 M HA -0.251 4.229 4.480 -0.000 0.000 0.258 417 M C 1.348 177.327 176.300 -0.535 0.000 1.071 417 M CA 1.921 56.998 55.300 -0.371 0.000 1.088 417 M CB -0.283 32.038 32.600 -0.465 0.000 1.360 417 M HN 0.219 nan 8.290 nan 0.000 0.404 418 H N -1.172 117.767 119.070 -0.218 0.000 2.674 418 H HA 0.546 5.101 4.556 -0.000 0.000 0.274 418 H C 0.037 175.219 175.328 -0.244 0.000 1.121 418 H CA 0.296 56.210 56.048 -0.224 0.000 1.132 418 H CB -0.250 29.359 29.762 -0.255 0.000 1.606 418 H HN 0.412 nan 8.280 nan 0.000 0.558 419 A N 0.565 123.282 122.820 -0.172 0.000 2.247 419 A HA 0.509 4.828 4.320 -0.000 0.000 0.313 419 A C 0.195 177.746 177.584 -0.055 0.000 1.109 419 A CA -0.411 51.536 52.037 -0.150 0.000 0.890 419 A CB 1.114 20.041 19.000 -0.122 0.000 1.239 419 A HN 0.165 nan 8.150 nan 0.000 0.506 420 T N -1.278 113.268 114.554 -0.012 0.000 2.856 420 T HA 0.434 4.784 4.350 -0.000 0.000 0.283 420 T C 1.198 175.909 174.700 0.019 0.000 1.008 420 T CA 0.252 62.353 62.100 0.000 0.000 0.997 420 T CB 0.857 69.727 68.868 0.003 0.000 0.992 420 T HN 0.917 nan 8.240 nan 0.000 0.454 421 T N 1.187 115.746 114.554 0.008 0.000 2.962 421 T HA 0.042 4.391 4.350 -0.000 0.000 0.270 421 T C 0.782 175.483 174.700 0.001 0.000 1.088 421 T CA 0.426 62.531 62.100 0.008 0.000 1.127 421 T CB -0.069 68.800 68.868 0.002 0.000 0.883 421 T HN 0.458 nan 8.240 nan 0.000 0.493 422 S N 3.033 118.731 115.700 -0.003 0.000 2.080 422 S HA 0.389 4.859 4.470 -0.000 0.000 0.162 422 S C -2.584 172.004 174.600 -0.021 0.000 1.618 422 S CA -1.260 56.925 58.200 -0.025 0.000 1.200 422 S CB 0.619 63.805 63.200 -0.024 0.000 1.135 422 S HN 0.434 nan 8.310 nan 0.000 0.455 423 P HA 0.196 nan 4.420 nan 0.000 0.271 423 P C -0.448 176.859 177.300 0.012 0.000 1.218 423 P CA -0.644 62.493 63.100 0.061 0.000 0.780 423 P CB 0.678 32.478 31.700 0.167 0.000 0.901 424 L N 4.031 125.291 121.223 0.063 0.000 2.369 424 L HA 0.100 4.440 4.340 -0.000 0.000 0.279 424 L C 0.708 177.711 176.870 0.222 0.000 1.108 424 L CA -0.035 54.843 54.840 0.063 0.000 0.852 424 L CB -0.361 41.734 42.059 0.061 0.000 1.169 424 L HN 0.214 nan 8.230 nan 0.000 0.452 425 Y N 3.924 124.314 120.300 0.149 0.000 2.497 425 Y HA -0.026 4.524 4.550 -0.000 0.000 0.292 425 Y C 2.210 178.186 175.900 0.126 0.000 1.137 425 Y CA 0.552 58.762 58.100 0.182 0.000 1.285 425 Y CB -1.184 37.410 38.460 0.224 0.000 0.991 425 Y HN 0.816 nan 8.280 nan 0.000 0.556 426 A N 0.367 123.323 122.820 0.226 0.000 1.940 426 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 426 A C 2.317 179.947 177.584 0.076 0.000 1.176 426 A CA 1.716 53.816 52.037 0.106 0.000 0.631 426 A CB -0.936 18.077 19.000 0.023 0.000 0.814 426 A HN 0.434 nan 8.150 nan 0.000 0.446 427 I N -0.539 120.091 120.570 0.099 0.000 2.163 427 I HA -0.299 3.871 4.170 -0.000 0.000 0.240 427 I C 2.512 178.677 176.117 0.080 0.000 1.081 427 I CA 1.226 62.568 61.300 0.070 0.000 1.353 427 I CB -0.649 37.391 38.000 0.066 0.000 1.054 427 I HN 0.390 nan 8.210 nan 0.000 0.407 428 C N 1.101 120.489 119.300 0.146 0.000 2.413 428 C HA -0.169 4.291 4.460 -0.000 0.000 0.276 428 C C 3.206 178.242 174.990 0.076 0.000 1.248 428 C CA 0.718 59.816 59.018 0.133 0.000 1.742 428 C CB -1.504 26.384 27.740 0.246 0.000 2.017 428 C HN 0.604 nan 8.230 nan 0.000 0.481 429 A N 1.756 124.624 122.820 0.079 0.000 1.883 429 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 429 A C 2.355 179.912 177.584 -0.045 0.000 1.186 429 A CA 2.788 54.850 52.037 0.042 0.000 0.624 429 A CB -1.020 18.021 19.000 0.068 0.000 0.822 429 A HN 0.742 nan 8.150 nan 0.000 0.444 430 S N -0.050 115.623 115.700 -0.046 0.000 2.383 430 S HA -0.195 4.274 4.470 -0.000 0.000 0.227 430 S C 1.821 176.435 174.600 0.023 0.000 1.026 430 S CA 1.448 59.619 58.200 -0.050 0.000 0.981 430 S CB -0.667 62.513 63.200 -0.032 0.000 0.818 430 S HN 0.513 nan 8.310 nan 0.000 0.472 431 N N 2.324 121.051 118.700 0.045 0.000 2.104 431 N HA -0.125 4.615 4.740 -0.000 0.000 0.190 431 N C 1.431 177.069 175.510 0.213 0.000 1.024 431 N CA 1.671 54.773 53.050 0.087 0.000 0.853 431 N CB -0.809 37.637 38.487 -0.068 0.000 1.008 431 N HN 0.576 nan 8.380 nan 0.000 0.424 432 D N -0.667 119.836 120.400 0.171 0.000 2.144 432 D HA -0.050 4.590 4.640 -0.000 0.000 0.200 432 D C 1.863 178.284 176.300 0.202 0.000 0.978 432 D CA 0.591 54.722 54.000 0.219 0.000 0.833 432 D CB 0.035 40.934 40.800 0.164 0.000 0.961 432 D HN 0.034 nan 8.370 nan 0.000 0.470 433 V N 0.679 120.653 119.914 0.099 0.000 2.453 433 V HA -0.143 3.977 4.120 -0.000 0.000 0.247 433 V C 2.590 178.735 176.094 0.085 0.000 1.048 433 V CA 1.459 63.794 62.300 0.059 0.000 1.049 433 V CB -0.873 30.894 31.823 -0.093 0.000 0.672 433 V HN 0.294 nan 8.190 nan 0.000 0.457 434 A N 0.139 123.021 122.820 0.103 0.000 1.903 434 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 434 A C 2.406 180.077 177.584 0.145 0.000 1.191 434 A CA 2.561 54.677 52.037 0.131 0.000 0.638 434 A CB -0.829 18.285 19.000 0.190 0.000 0.823 434 A HN 0.352 nan 8.150 nan 0.000 0.451 435 V N -0.605 119.418 119.914 0.182 0.000 2.307 435 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 435 V C 2.779 178.861 176.094 -0.020 0.000 1.045 435 V CA 2.251 64.627 62.300 0.127 0.000 1.024 435 V CB -0.906 30.922 31.823 0.007 0.000 0.651 435 V HN 0.705 nan 8.190 nan 0.000 0.449 436 S N -0.450 115.328 115.700 0.130 0.000 2.380 436 S HA -0.309 4.161 4.470 -0.000 0.000 0.229 436 S C 2.009 176.635 174.600 0.043 0.000 1.043 436 S CA 2.363 60.680 58.200 0.194 0.000 1.038 436 S CB -0.348 62.979 63.200 0.212 0.000 0.872 436 S HN 0.521 nan 8.310 nan 0.000 0.456 437 M N 0.048 119.645 119.600 -0.004 0.000 2.229 437 M HA -0.007 4.473 4.480 -0.000 0.000 0.264 437 M C 1.692 177.889 176.300 -0.170 0.000 1.063 437 M CA 1.023 56.291 55.300 -0.053 0.000 1.114 437 M CB -0.247 32.334 32.600 -0.031 0.000 1.387 437 M HN 0.366 nan 8.290 nan 0.000 0.420 438 M N -0.574 118.831 119.600 -0.325 0.000 2.541 438 M HA 0.082 4.561 4.480 -0.000 0.000 0.252 438 M C 0.114 176.042 176.300 -0.619 0.000 1.125 438 M CA 0.442 55.295 55.300 -0.744 0.000 1.091 438 M CB -1.302 30.408 32.600 -1.483 0.000 1.420 438 M HN 0.002 nan 8.290 nan 0.000 0.486 439 D N 1.378 121.594 120.400 -0.308 0.000 2.343 439 D HA 0.432 5.072 4.640 -0.000 0.000 0.255 439 D C 0.975 177.234 176.300 -0.067 0.000 1.187 439 D CA 1.419 55.327 54.000 -0.153 0.000 0.875 439 D CB 0.616 41.412 40.800 -0.006 0.000 1.136 439 D HN 0.466 nan 8.370 nan 0.000 0.469 440 G N 4.616 113.394 108.800 -0.037 0.000 2.512 440 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.240 440 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.240 440 G C 1.057 175.953 174.900 -0.007 0.000 1.246 440 G CA 0.137 45.235 45.100 -0.003 0.000 0.919 440 G HN 0.530 nan 8.290 nan 0.000 0.577 441 N N 1.152 119.856 118.700 0.006 0.000 2.149 441 N HA -0.148 4.592 4.740 -0.000 0.000 0.188 441 N C 2.702 178.214 175.510 0.003 0.000 1.019 441 N CA 2.416 55.474 53.050 0.014 0.000 0.857 441 N CB -0.575 37.931 38.487 0.032 0.000 0.997 441 N HN 0.984 nan 8.380 nan 0.000 0.426 442 S N -0.396 115.298 115.700 -0.009 0.000 2.399 442 S HA -0.058 4.412 4.470 -0.000 0.000 0.231 442 S C 2.167 176.730 174.600 -0.062 0.000 1.022 442 S CA 1.203 59.389 58.200 -0.023 0.000 0.983 442 S CB -0.990 62.200 63.200 -0.017 0.000 0.803 442 S HN 0.356 nan 8.310 nan 0.000 0.480 443 G N 2.150 110.879 108.800 -0.119 0.000 2.459 443 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.217 443 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.217 443 G C 1.352 176.245 174.900 -0.012 0.000 1.183 443 G CA 1.047 46.037 45.100 -0.184 0.000 0.776 443 G HN 0.477 nan 8.290 nan 0.000 0.552 444 L N 1.077 122.318 121.223 0.030 0.000 1.970 444 L HA -0.050 4.290 4.340 -0.000 0.000 0.212 444 L C 2.908 179.791 176.870 0.022 0.000 1.071 444 L CA 2.721 57.587 54.840 0.044 0.000 0.751 444 L CB -1.080 40.998 42.059 0.032 0.000 0.889 444 L HN 0.240 nan 8.230 nan 0.000 0.432 445 S N -0.848 114.857 115.700 0.009 0.000 2.359 445 S HA -0.227 4.243 4.470 -0.000 0.000 0.222 445 S C 2.072 176.675 174.600 0.005 0.000 1.038 445 S CA 2.019 60.223 58.200 0.006 0.000 1.051 445 S CB -0.549 62.656 63.200 0.008 0.000 0.944 445 S HN 0.475 nan 8.310 nan 0.000 0.433 446 L N 0.863 122.084 121.223 -0.003 0.000 2.042 446 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 446 L C 3.003 179.875 176.870 0.003 0.000 1.076 446 L CA 1.857 56.694 54.840 -0.005 0.000 0.749 446 L CB -1.198 40.846 42.059 -0.025 0.000 0.893 446 L HN 0.568 nan 8.230 nan 0.000 0.432 447 T N -3.904 110.662 114.554 0.019 0.000 2.904 447 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 447 T C 1.811 176.522 174.700 0.019 0.000 1.059 447 T CA 0.986 63.108 62.100 0.038 0.000 1.137 447 T CB -0.180 68.772 68.868 0.139 0.000 0.879 447 T HN 0.102 nan 8.240 nan 0.000 0.467 448 Q N 1.510 121.316 119.800 0.010 0.000 2.170 448 Q HA -0.038 4.302 4.340 -0.000 0.000 0.203 448 Q C 2.167 178.163 176.000 -0.006 0.000 0.976 448 Q CA 1.775 57.570 55.803 -0.012 0.000 0.858 448 Q CB -0.403 28.328 28.738 -0.013 0.000 0.907 448 Q HN 0.814 nan 8.270 nan 0.000 0.433 449 E N -1.213 118.993 120.200 0.010 0.000 2.106 449 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 449 E C 1.641 178.269 176.600 0.047 0.000 0.984 449 E CA 1.293 57.711 56.400 0.031 0.000 0.806 449 E CB 0.181 29.904 29.700 0.037 0.000 0.750 449 E HN 0.291 nan 8.360 nan 0.000 0.458 450 V N 1.146 121.078 119.914 0.031 0.000 2.307 450 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 450 V C 2.396 178.491 176.094 0.001 0.000 1.045 450 V CA 1.539 63.870 62.300 0.052 0.000 1.024 450 V CB -0.481 31.342 31.823 0.000 0.000 0.651 450 V HN 0.285 nan 8.190 nan 0.000 0.449 451 I N 0.548 121.088 120.570 -0.050 0.000 2.127 451 I HA -0.256 3.914 4.170 -0.000 0.000 0.241 451 I C 2.379 178.437 176.117 -0.097 0.000 1.075 451 I CA 1.843 63.071 61.300 -0.120 0.000 1.334 451 I CB -0.606 37.297 38.000 -0.161 0.000 1.040 451 I HN 0.284 nan 8.210 nan 0.000 0.405 452 D N 0.665 121.039 120.400 -0.044 0.000 2.116 452 D HA -0.193 4.446 4.640 -0.000 0.000 0.193 452 D C 2.158 178.458 176.300 -0.000 0.000 0.998 452 D CA 1.188 55.177 54.000 -0.018 0.000 0.836 452 D CB -0.328 40.481 40.800 0.014 0.000 0.951 452 D HN 0.332 nan 8.370 nan 0.000 0.449 453 E N 0.320 120.554 120.200 0.056 0.000 2.106 453 E HA -0.069 4.280 4.350 -0.000 0.000 0.192 453 E C 2.070 178.587 176.600 -0.139 0.000 0.984 453 E CA 0.795 57.291 56.400 0.160 0.000 0.806 453 E CB -0.185 29.741 29.700 0.377 0.000 0.750 453 E HN 0.248 nan 8.360 nan 0.000 0.458 454 A N 0.874 123.464 122.820 -0.383 0.000 1.929 454 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 454 A C 2.573 179.928 177.584 -0.380 0.000 1.176 454 A CA 1.058 52.610 52.037 -0.809 0.000 0.628 454 A CB -0.468 18.145 19.000 -0.646 0.000 0.816 454 A HN 0.119 nan 8.150 nan 0.000 0.444 455 V N 0.616 120.412 119.914 -0.195 0.000 2.358 455 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 455 V C 2.120 178.114 176.094 -0.166 0.000 1.047 455 V CA 2.193 64.460 62.300 -0.055 0.000 1.035 455 V CB -0.807 31.015 31.823 -0.001 0.000 0.658 455 V HN 0.466 nan 8.190 nan 0.000 0.452 456 D N -0.263 119.985 120.400 -0.253 0.000 2.123 456 D HA -0.192 4.448 4.640 -0.000 0.000 0.196 456 D C 1.856 177.616 176.300 -0.900 0.000 0.992 456 D CA 1.323 55.088 54.000 -0.391 0.000 0.833 456 D CB -0.333 40.377 40.800 -0.149 0.000 0.954 456 D HN 0.436 nan 8.370 nan 0.000 0.455 457 F N 1.872 121.031 119.950 -1.317 0.000 2.102 457 F HA -0.090 4.437 4.527 -0.000 0.000 0.298 457 F C 2.268 177.798 175.800 -0.450 0.000 1.105 457 F CA 1.360 58.669 58.000 -1.151 0.000 1.239 457 F CB -0.256 38.362 39.000 -0.637 0.000 0.991 457 F HN -0.206 nan 8.300 nan 0.000 0.474 458 R N -0.013 120.231 120.500 -0.428 0.000 2.080 458 R HA -0.207 4.133 4.340 -0.000 0.000 0.236 458 R C 2.338 178.633 176.300 -0.007 0.000 1.137 458 R CA 2.081 58.029 56.100 -0.253 0.000 0.943 458 R CB -0.680 29.648 30.300 0.046 0.000 0.846 458 R HN 0.456 nan 8.270 nan 0.000 0.431 459 Q N -0.265 119.583 119.800 0.080 0.000 2.124 459 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 459 Q C 2.215 178.214 176.000 -0.003 0.000 0.977 459 Q CA 1.418 57.260 55.803 0.064 0.000 0.850 459 Q CB -0.102 28.566 28.738 -0.117 0.000 0.901 459 Q HN 0.376 nan 8.270 nan 0.000 0.429 460 A N 0.846 123.603 122.820 -0.107 0.000 1.883 460 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 460 A C 2.038 179.663 177.584 0.069 0.000 1.186 460 A CA 1.381 53.416 52.037 -0.002 0.000 0.624 460 A CB -0.390 18.620 19.000 0.017 0.000 0.822 460 A HN 0.244 nan 8.150 nan 0.000 0.444 461 M N -0.463 119.118 119.600 -0.032 0.000 2.175 461 M HA -0.082 4.398 4.480 -0.000 0.000 0.264 461 M C 2.486 178.909 176.300 0.206 0.000 1.063 461 M CA 1.469 56.825 55.300 0.093 0.000 1.119 461 M CB -1.552 30.924 32.600 -0.207 0.000 1.377 461 M HN 0.503 nan 8.290 nan 0.000 0.415 462 A N 0.283 123.175 122.820 0.120 0.000 1.858 462 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 462 A C 2.317 180.037 177.584 0.226 0.000 1.190 462 A CA 1.666 53.815 52.037 0.186 0.000 0.617 462 A CB -0.627 18.512 19.000 0.232 0.000 0.827 462 A HN 0.404 nan 8.150 nan 0.000 0.443 463 R N -0.459 120.132 120.500 0.152 0.000 2.096 463 R HA -0.139 4.201 4.340 -0.000 0.000 0.240 463 R C 2.090 178.445 176.300 0.091 0.000 1.139 463 R CA 1.821 57.981 56.100 0.100 0.000 0.952 463 R CB -0.618 29.716 30.300 0.057 0.000 0.854 463 R HN 0.544 nan 8.270 nan 0.000 0.436 464 L N -1.106 120.195 121.223 0.131 0.000 2.046 464 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 464 L C 2.344 179.346 176.870 0.221 0.000 1.077 464 L CA 1.273 56.152 54.840 0.064 0.000 0.747 464 L CB -0.536 41.559 42.059 0.060 0.000 0.896 464 L HN 0.231 nan 8.230 nan 0.000 0.432 465 Y N 1.102 121.596 120.300 0.324 0.000 2.165 465 Y HA -0.333 4.217 4.550 -0.000 0.000 0.286 465 Y C 2.704 178.730 175.900 0.210 0.000 1.155 465 Y CA 1.953 60.270 58.100 0.361 0.000 1.164 465 Y CB -0.119 38.524 38.460 0.305 0.000 0.978 465 Y HN -0.004 nan 8.280 nan 0.000 0.513 466 K N 0.238 120.719 120.400 0.135 0.000 2.063 466 K HA -0.262 4.057 4.320 -0.000 0.000 0.208 466 K C 2.275 178.832 176.600 -0.072 0.000 1.048 466 K CA 1.904 58.200 56.287 0.015 0.000 0.928 466 K CB -0.274 32.273 32.500 0.079 0.000 0.713 466 K HN 0.540 nan 8.250 nan 0.000 0.442 467 E N -0.528 119.619 120.200 -0.089 0.000 2.047 467 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 467 E C 1.789 178.241 176.600 -0.246 0.000 0.987 467 E CA 1.215 57.496 56.400 -0.198 0.000 0.799 467 E CB -0.140 29.382 29.700 -0.297 0.000 0.752 467 E HN 0.321 nan 8.360 nan 0.000 0.449 468 F N 0.623 120.442 119.950 -0.218 0.000 2.216 468 F HA -0.155 4.371 4.527 -0.000 0.000 0.300 468 F C 2.569 178.250 175.800 -0.199 0.000 1.085 468 F CA 1.407 59.270 58.000 -0.228 0.000 1.326 468 F CB -0.080 38.756 39.000 -0.274 0.000 1.027 468 F HN 0.086 nan 8.300 nan 0.000 0.497 469 T N -0.582 113.919 114.554 -0.089 0.000 2.851 469 T HA -0.073 4.277 4.350 -0.000 0.000 0.262 469 T C 2.251 176.904 174.700 -0.078 0.000 1.043 469 T CA 1.013 63.020 62.100 -0.154 0.000 1.140 469 T CB -0.457 68.181 68.868 -0.382 0.000 0.872 469 T HN 0.274 nan 8.240 nan 0.000 0.446 470 A N 1.616 124.387 122.820 -0.081 0.000 2.024 470 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 470 A C 1.772 179.329 177.584 -0.045 0.000 1.164 470 A CA 1.920 53.923 52.037 -0.057 0.000 0.643 470 A CB -0.472 18.489 19.000 -0.064 0.000 0.806 470 A HN 0.574 nan 8.150 nan 0.000 0.451 471 D N -2.169 118.202 120.400 -0.048 0.000 2.463 471 D HA 0.354 4.994 4.640 -0.000 0.000 0.224 471 D C 0.895 177.200 176.300 0.008 0.000 1.174 471 D CA 0.597 54.578 54.000 -0.032 0.000 0.829 471 D CB -0.534 40.225 40.800 -0.069 0.000 0.993 471 D HN 0.494 nan 8.370 nan 0.000 0.497 472 G N 0.115 108.923 108.800 0.014 0.000 2.249 472 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.273 472 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.273 472 G C 0.188 175.132 174.900 0.073 0.000 1.036 472 G CA 0.598 45.720 45.100 0.036 0.000 0.824 472 G HN 0.572 nan 8.290 nan 0.000 0.504 473 S N -0.824 114.932 115.700 0.093 0.000 2.671 473 S HA 0.803 5.272 4.470 -0.000 0.000 0.299 473 S C 0.173 174.843 174.600 0.116 0.000 1.116 473 S CA -0.316 57.958 58.200 0.122 0.000 0.912 473 S CB 1.027 64.309 63.200 0.136 0.000 1.130 473 S HN 1.047 nan 8.310 nan 0.000 0.501 474 W N 2.355 123.642 121.300 -0.021 0.000 2.359 474 W HA 0.725 5.385 4.660 -0.000 0.000 0.344 474 W C -1.605 174.868 176.519 -0.076 0.000 1.170 474 W CA -0.877 56.436 57.345 -0.054 0.000 1.296 474 W CB 0.195 29.597 29.460 -0.098 0.000 1.197 474 W HN 0.505 nan 8.180 nan 0.000 0.618 475 F N 0.747 120.655 119.950 -0.070 0.000 2.745 475 F HA 0.537 5.063 4.527 -0.000 0.000 0.316 475 F C -1.166 174.731 175.800 0.161 0.000 1.155 475 F CA -2.491 55.328 58.000 -0.301 0.000 0.937 475 F CB 1.122 39.988 39.000 -0.224 0.000 1.361 475 F HN 0.165 nan 8.300 nan 0.000 0.472 476 F N 2.227 121.852 119.950 -0.541 0.000 2.410 476 F HA 0.444 4.971 4.527 -0.000 0.000 0.334 476 F C -0.032 175.697 175.800 -0.117 0.000 1.134 476 F CA -0.010 57.813 58.000 -0.296 0.000 1.227 476 F CB 0.658 39.344 39.000 -0.523 0.000 1.194 476 F HN 0.274 nan 8.300 nan 0.000 0.571 477 K N 2.024 122.427 120.400 0.005 0.000 2.443 477 K HA 0.640 4.959 4.320 -0.000 0.000 0.251 477 K C -3.281 173.245 176.600 -0.123 0.000 0.972 477 K CA -2.234 53.955 56.287 -0.164 0.000 0.833 477 K CB 2.005 34.109 32.500 -0.661 0.000 1.317 477 K HN 0.147 nan 8.250 nan 0.000 0.441 478 P HA 0.020 nan 4.420 nan 0.000 0.284 478 P C -1.217 176.001 177.300 -0.137 0.000 1.253 478 P CA -0.230 62.762 63.100 -0.179 0.000 0.800 478 P CB 0.424 31.923 31.700 -0.335 0.000 0.961 479 W N 6.355 127.536 121.300 -0.198 0.000 2.422 479 W HA 0.247 4.907 4.660 -0.000 0.000 0.349 479 W C -0.530 175.927 176.519 -0.104 0.000 1.062 479 W CA 0.365 57.641 57.345 -0.115 0.000 1.497 479 W CB -0.777 28.640 29.460 -0.072 0.000 1.407 479 W HN 0.483 nan 8.180 nan 0.000 0.393 480 N N 2.554 120.889 118.700 -0.609 0.000 3.308 480 N HA 0.231 4.971 4.740 -0.000 0.000 0.276 480 N C -1.512 173.026 175.510 -1.621 0.000 1.533 480 N CA -1.247 51.100 53.050 -1.173 0.000 0.878 480 N CB 0.619 38.481 38.487 -1.041 0.000 1.566 480 N HN 0.151 nan 8.380 nan 0.000 0.546 481 K N -0.275 118.846 120.400 -2.132 0.000 2.485 481 K HA -0.006 4.314 4.320 -0.000 0.000 0.277 481 K C 0.042 176.171 176.600 -0.786 0.000 0.990 481 K CA 0.484 55.715 56.287 -1.760 0.000 0.994 481 K CB 0.324 32.138 32.500 -1.144 0.000 0.906 481 K HN 0.595 nan 8.250 nan 0.000 0.488 482 E N 1.225 121.169 120.200 -0.425 0.000 2.166 482 E HA 0.011 4.361 4.350 -0.000 0.000 0.192 482 E C -0.432 176.145 176.600 -0.039 0.000 0.967 482 E CA 0.335 56.647 56.400 -0.146 0.000 0.840 482 E CB 0.625 30.311 29.700 -0.024 0.000 0.795 482 E HN 0.217 nan 8.360 nan 0.000 0.470 483 V N 1.271 121.159 119.914 -0.043 0.000 2.638 483 V HA 0.356 4.476 4.120 -0.000 0.000 0.306 483 V C -0.670 175.416 176.094 -0.012 0.000 1.052 483 V CA -0.768 61.535 62.300 0.005 0.000 0.885 483 V CB 2.205 34.045 31.823 0.028 0.000 0.999 483 V HN -0.157 nan 8.190 nan 0.000 0.424 484 V N 3.112 123.032 119.914 0.011 0.000 2.876 484 V HA 0.682 4.802 4.120 -0.000 0.000 0.312 484 V C -0.283 175.855 176.094 0.074 0.000 1.085 484 V CA -0.294 62.001 62.300 -0.009 0.000 0.945 484 V CB 2.953 34.714 31.823 -0.102 0.000 1.017 484 V HN 0.972 nan 8.190 nan 0.000 0.428 485 T N 2.337 116.923 114.554 0.054 0.000 2.812 485 T HA 0.294 4.644 4.350 -0.000 0.000 0.282 485 T C -0.856 173.891 174.700 0.079 0.000 0.990 485 T CA -0.428 61.716 62.100 0.074 0.000 0.960 485 T CB 1.367 70.258 68.868 0.037 0.000 0.948 485 T HN 0.685 nan 8.240 nan 0.000 0.438 486 D N 4.365 124.842 120.400 0.129 0.000 2.338 486 D HA 0.145 4.784 4.640 -0.000 0.000 0.255 486 D C -1.074 175.259 176.300 0.054 0.000 1.237 486 D CA -2.168 51.889 54.000 0.095 0.000 0.883 486 D CB 1.415 42.309 40.800 0.157 0.000 1.087 486 D HN 0.144 nan 8.370 nan 0.000 0.485 487 P HA -0.147 nan 4.420 nan 0.000 0.225 487 P C 1.025 178.338 177.300 0.022 0.000 1.148 487 P CA 0.743 63.860 63.100 0.028 0.000 0.779 487 P CB 0.657 32.375 31.700 0.029 0.000 0.780 488 Q N -0.157 119.657 119.800 0.023 0.000 2.020 488 Q HA -0.059 4.280 4.340 -0.000 0.000 0.198 488 Q C 2.310 178.320 176.000 0.017 0.000 0.974 488 Q CA 2.375 58.188 55.803 0.018 0.000 0.829 488 Q CB -1.314 27.434 28.738 0.016 0.000 0.894 488 Q HN 0.408 nan 8.270 nan 0.000 0.433 489 T N -3.821 110.748 114.554 0.025 0.000 2.901 489 T HA 0.251 4.601 4.350 -0.000 0.000 0.252 489 T C 1.468 176.170 174.700 0.003 0.000 1.035 489 T CA 1.197 63.307 62.100 0.016 0.000 1.142 489 T CB 0.093 68.977 68.868 0.028 0.000 0.869 489 T HN 0.410 nan 8.240 nan 0.000 0.442 490 G N 1.057 109.862 108.800 0.007 0.000 2.179 490 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.220 490 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.220 490 G C 0.024 174.901 174.900 -0.039 0.000 0.990 490 G CA 0.062 45.156 45.100 -0.010 0.000 0.646 490 G HN 0.786 nan 8.290 nan 0.000 0.517 491 K N 1.060 121.429 120.400 -0.051 0.000 2.414 491 K HA 0.524 4.843 4.320 -0.000 0.000 0.272 491 K C 0.114 176.577 176.600 -0.228 0.000 0.993 491 K CA 0.809 56.992 56.287 -0.174 0.000 0.964 491 K CB 0.375 32.767 32.500 -0.180 0.000 0.925 491 K HN 0.070 nan 8.250 nan 0.000 0.487 492 T N 3.060 117.376 114.554 -0.397 0.000 2.856 492 T HA 0.498 4.848 4.350 -0.000 0.000 0.283 492 T C -1.528 172.887 174.700 -0.474 0.000 1.008 492 T CA -0.456 61.487 62.100 -0.262 0.000 0.997 492 T CB 0.378 69.162 68.868 -0.139 0.000 0.992 492 T HN 0.376 nan 8.240 nan 0.000 0.454 493 Y N 0.632 120.900 120.300 -0.053 0.000 2.492 493 Y HA 0.362 4.912 4.550 -0.000 0.000 0.346 493 Y C 0.136 176.004 175.900 -0.054 0.000 0.997 493 Y CA -1.400 56.663 58.100 -0.062 0.000 1.025 493 Y CB 1.208 39.610 38.460 -0.096 0.000 1.263 493 Y HN 0.494 nan 8.280 nan 0.000 0.454 494 D N 1.254 121.727 120.400 0.121 0.000 2.419 494 D HA -0.068 4.571 4.640 -0.000 0.000 0.236 494 D C 0.715 177.066 176.300 0.085 0.000 1.165 494 D CA 0.332 54.388 54.000 0.094 0.000 0.882 494 D CB 0.466 41.318 40.800 0.087 0.000 1.201 494 D HN 0.563 nan 8.370 nan 0.000 0.443 495 F N 1.883 121.784 119.950 -0.081 0.000 2.126 495 F HA -0.227 4.300 4.527 -0.000 0.000 0.299 495 F C 2.100 177.830 175.800 -0.116 0.000 1.096 495 F CA 1.891 59.797 58.000 -0.156 0.000 1.255 495 F CB -0.041 38.819 39.000 -0.233 0.000 0.997 495 F HN 0.415 nan 8.300 nan 0.000 0.479 496 A N -0.314 122.575 122.820 0.115 0.000 1.940 496 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 496 A C 1.672 179.220 177.584 -0.059 0.000 1.176 496 A CA 2.151 54.215 52.037 0.046 0.000 0.631 496 A CB -0.753 18.305 19.000 0.097 0.000 0.814 496 A HN 0.497 nan 8.150 nan 0.000 0.446 497 D N -0.607 119.767 120.400 -0.043 0.000 2.369 497 D HA 0.348 4.988 4.640 -0.000 0.000 0.211 497 D C 0.660 176.874 176.300 -0.143 0.000 1.077 497 D CA 0.638 54.622 54.000 -0.027 0.000 0.842 497 D CB -0.056 40.796 40.800 0.087 0.000 0.947 497 D HN 0.421 nan 8.370 nan 0.000 0.509 498 A N 2.097 124.732 122.820 -0.309 0.000 2.425 498 A HA 0.386 4.706 4.320 -0.000 0.000 0.249 498 A C -2.274 174.968 177.584 -0.569 0.000 1.084 498 A CA -0.916 50.754 52.037 -0.612 0.000 0.781 498 A CB 0.001 18.656 19.000 -0.575 0.000 1.019 498 A HN -0.123 nan 8.150 nan 0.000 0.490 499 P HA 0.084 nan 4.420 nan 0.000 0.268 499 P C 1.115 178.216 177.300 -0.333 0.000 1.204 499 P CA 0.368 63.222 63.100 -0.410 0.000 0.768 499 P CB 0.607 32.078 31.700 -0.381 0.000 0.842 500 T N 0.889 115.299 114.554 -0.239 0.000 2.821 500 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 500 T C 1.615 176.222 174.700 -0.155 0.000 1.046 500 T CA 0.923 62.900 62.100 -0.206 0.000 1.139 500 T CB -0.526 68.258 68.868 -0.139 0.000 0.871 500 T HN 0.354 nan 8.240 nan 0.000 0.454 501 K N 0.537 120.859 120.400 -0.131 0.000 2.211 501 K HA -0.094 4.226 4.320 -0.000 0.000 0.204 501 K C 2.228 178.773 176.600 -0.092 0.000 1.047 501 K CA 1.183 57.414 56.287 -0.094 0.000 0.935 501 K CB -0.338 32.114 32.500 -0.081 0.000 0.728 501 K HN 0.371 nan 8.250 nan 0.000 0.452 502 L N 1.455 122.595 121.223 -0.139 0.000 2.005 502 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 502 L C 1.987 178.803 176.870 -0.090 0.000 1.072 502 L CA 1.491 56.255 54.840 -0.127 0.000 0.744 502 L CB -0.398 41.539 42.059 -0.203 0.000 0.895 502 L HN 0.181 nan 8.230 nan 0.000 0.433 503 L N -0.593 120.544 121.223 -0.143 0.000 2.191 503 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 503 L C 2.242 179.241 176.870 0.215 0.000 1.103 503 L CA 1.681 56.499 54.840 -0.037 0.000 0.769 503 L CB -1.195 40.731 42.059 -0.223 0.000 0.908 503 L HN 0.556 nan 8.230 nan 0.000 0.438 504 T N -6.055 108.531 114.554 0.054 0.000 3.044 504 T HA -0.007 4.342 4.350 -0.000 0.000 0.250 504 T C 1.460 176.149 174.700 -0.019 0.000 1.081 504 T CA 0.767 62.877 62.100 0.015 0.000 1.040 504 T CB 0.002 68.849 68.868 -0.035 0.000 0.962 504 T HN 0.385 nan 8.240 nan 0.000 0.506 505 T N -1.193 113.362 114.554 0.001 0.000 3.004 505 T HA 0.405 4.755 4.350 -0.000 0.000 0.266 505 T C 0.122 174.825 174.700 0.005 0.000 0.986 505 T CA -0.271 61.817 62.100 -0.020 0.000 0.902 505 T CB 0.154 69.005 68.868 -0.029 0.000 1.118 505 T HN 0.150 nan 8.240 nan 0.000 0.522 506 V N 2.856 122.802 119.914 0.053 0.000 2.334 506 V HA 0.371 4.491 4.120 -0.000 0.000 0.281 506 V C 1.437 177.619 176.094 0.147 0.000 1.016 506 V CA -0.641 61.698 62.300 0.064 0.000 0.832 506 V CB 1.321 33.162 31.823 0.030 0.000 0.999 506 V HN 0.399 nan 8.190 nan 0.000 0.439 507 Q N 2.865 122.732 119.800 0.111 0.000 2.135 507 Q HA -0.266 4.074 4.340 -0.000 0.000 0.204 507 Q C 1.603 177.701 176.000 0.164 0.000 0.981 507 Q CA 2.545 58.431 55.803 0.139 0.000 0.856 507 Q CB 0.082 28.848 28.738 0.046 0.000 0.902 507 Q HN 0.935 nan 8.270 nan 0.000 0.425 508 D N -0.604 119.864 120.400 0.112 0.000 2.190 508 D HA -0.169 4.471 4.640 -0.000 0.000 0.200 508 D C 1.402 177.718 176.300 0.028 0.000 0.992 508 D CA 1.332 55.401 54.000 0.114 0.000 0.854 508 D CB -0.199 40.686 40.800 0.142 0.000 0.936 508 D HN 0.415 nan 8.370 nan 0.000 0.462 509 C N -0.683 118.565 119.300 -0.086 0.000 2.430 509 C HA -0.056 4.403 4.460 -0.000 0.000 0.288 509 C C 1.625 176.145 174.990 -0.783 0.000 1.448 509 C CA 0.181 58.942 59.018 -0.428 0.000 1.784 509 C CB -1.696 25.696 27.740 -0.579 0.000 1.776 509 C HN 0.531 nan 8.230 nan 0.000 0.547 510 W N -1.306 119.956 121.300 -0.063 0.000 2.868 510 W HA 0.361 5.021 4.660 -0.000 0.000 0.320 510 W C 0.603 177.139 176.519 0.029 0.000 1.076 510 W CA -0.184 57.123 57.345 -0.063 0.000 1.576 510 W CB -0.391 29.018 29.460 -0.085 0.000 1.030 510 W HN -0.223 nan 8.180 nan 0.000 0.558 511 V N 2.523 122.490 119.914 0.089 0.000 2.811 511 V HA -0.003 4.116 4.120 -0.000 0.000 0.302 511 V C 0.456 176.505 176.094 -0.075 0.000 1.063 511 V CA 0.174 62.441 62.300 -0.056 0.000 1.088 511 V CB 0.797 32.472 31.823 -0.248 0.000 0.982 511 V HN -0.027 nan 8.190 nan 0.000 0.485 512 M N 5.227 124.752 119.600 -0.125 0.000 2.365 512 M HA 0.325 4.805 4.480 -0.000 0.000 0.350 512 M C -0.403 175.771 176.300 -0.210 0.000 1.274 512 M CA -0.257 54.890 55.300 -0.254 0.000 1.252 512 M CB -0.128 32.108 32.600 -0.607 0.000 1.297 512 M HN 0.635 nan 8.290 nan 0.000 0.438 513 H N 2.224 121.394 119.070 0.167 0.000 2.629 513 H HA 0.262 4.817 4.556 -0.000 0.000 0.357 513 H C -2.261 173.186 175.328 0.198 0.000 1.121 513 H CA -1.982 54.158 56.048 0.154 0.000 1.406 513 H CB 0.168 30.026 29.762 0.160 0.000 1.456 513 H HN 0.282 nan 8.280 nan 0.000 0.579 514 P HA 0.025 nan 4.420 nan 0.000 0.265 514 P C 0.947 178.350 177.300 0.171 0.000 1.193 514 P CA 1.045 64.254 63.100 0.181 0.000 0.765 514 P CB 0.459 32.219 31.700 0.101 0.000 0.823 515 G N 1.640 110.519 108.800 0.132 0.000 2.176 515 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.253 515 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.253 515 G C -0.134 174.804 174.900 0.062 0.000 0.979 515 G CA -0.319 44.827 45.100 0.076 0.000 0.641 515 G HN 0.567 nan 8.290 nan 0.000 0.530 516 E N 0.870 121.117 120.200 0.077 0.000 2.200 516 E HA 0.463 4.812 4.350 -0.000 0.000 0.283 516 E C 1.408 177.825 176.600 -0.306 0.000 1.015 516 E CA 0.170 56.583 56.400 0.020 0.000 0.819 516 E CB 1.089 30.917 29.700 0.215 0.000 1.081 516 E HN 0.376 nan 8.360 nan 0.000 0.397 517 S N 4.396 120.010 115.700 -0.143 0.000 2.489 517 S HA -0.096 4.373 4.470 -0.000 0.000 0.228 517 S C 1.652 176.144 174.600 -0.179 0.000 0.995 517 S CA -0.218 57.870 58.200 -0.187 0.000 0.934 517 S CB -0.300 62.872 63.200 -0.046 0.000 0.771 517 S HN 0.830 nan 8.310 nan 0.000 0.522 518 W N 4.008 125.211 121.300 -0.163 0.000 2.335 518 W HA -0.258 4.402 4.660 -0.000 0.000 0.311 518 W C 1.891 178.482 176.519 0.118 0.000 1.213 518 W CA 1.510 58.828 57.345 -0.044 0.000 1.274 518 W CB -1.571 27.815 29.460 -0.123 0.000 1.148 518 W HN 0.674 nan 8.180 nan 0.000 0.498 519 H N -0.662 117.871 119.070 -0.895 0.000 2.428 519 H HA 0.233 4.788 4.556 -0.000 0.000 0.296 519 H C 2.083 177.139 175.328 -0.455 0.000 1.062 519 H CA 1.370 56.955 56.048 -0.771 0.000 1.350 519 H CB -1.177 27.819 29.762 -1.276 0.000 1.403 519 H HN 0.250 nan 8.280 nan 0.000 0.533 520 G N -0.465 108.033 108.800 -0.503 0.000 2.143 520 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.249 520 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.249 520 G C -0.390 174.322 174.900 -0.313 0.000 0.981 520 G CA 0.193 45.066 45.100 -0.379 0.000 0.665 520 G HN 0.354 nan 8.290 nan 0.000 0.528 521 F N 1.591 121.737 119.950 0.327 0.000 2.351 521 F HA 0.439 4.966 4.527 -0.000 0.000 0.362 521 F C 0.928 176.902 175.800 0.289 0.000 1.131 521 F CA -1.168 57.015 58.000 0.305 0.000 1.187 521 F CB 1.009 40.198 39.000 0.313 0.000 1.434 521 F HN 0.051 nan 8.300 nan 0.000 0.553 522 K N 3.475 124.070 120.400 0.325 0.000 2.484 522 K HA -0.061 4.259 4.320 -0.000 0.000 0.280 522 K C 0.171 176.951 176.600 0.301 0.000 1.013 522 K CA 0.553 56.977 56.287 0.227 0.000 1.029 522 K CB 0.209 32.790 32.500 0.135 0.000 0.902 522 K HN 0.647 nan 8.250 nan 0.000 0.481 523 D N 1.885 122.404 120.400 0.198 0.000 2.870 523 D HA -0.250 4.390 4.640 -0.000 0.000 0.228 523 D C -0.105 176.207 176.300 0.020 0.000 1.147 523 D CA 0.820 54.902 54.000 0.136 0.000 0.757 523 D CB -1.233 39.660 40.800 0.156 0.000 1.091 523 D HN 0.575 nan 8.370 nan 0.000 0.429 524 I N 0.944 121.503 120.570 -0.018 0.000 2.556 524 I HA 0.134 4.304 4.170 -0.000 0.000 0.284 524 I C -1.834 174.120 176.117 -0.272 0.000 1.114 524 I CA -1.295 59.786 61.300 -0.364 0.000 1.418 524 I CB 0.820 38.735 38.000 -0.141 0.000 1.394 524 I HN -0.256 nan 8.210 nan 0.000 0.552 525 P HA 0.112 nan 4.420 nan 0.000 0.271 525 P C -0.941 176.316 177.300 -0.073 0.000 1.218 525 P CA -0.241 62.719 63.100 -0.233 0.000 0.780 525 P CB 0.448 31.927 31.700 -0.368 0.000 0.901 526 D N 1.762 122.173 120.400 0.018 0.000 2.362 526 D HA -0.056 4.584 4.640 -0.000 0.000 0.238 526 D C 1.042 177.440 176.300 0.164 0.000 1.212 526 D CA 0.618 54.694 54.000 0.126 0.000 0.902 526 D CB -0.036 40.854 40.800 0.150 0.000 1.180 526 D HN 0.474 nan 8.370 nan 0.000 0.445 527 N N 0.468 119.293 118.700 0.209 0.000 2.714 527 N HA -0.217 4.523 4.740 -0.000 0.000 0.250 527 N C 0.008 175.683 175.510 0.275 0.000 1.117 527 N CA 1.237 54.417 53.050 0.217 0.000 0.719 527 N CB -1.389 37.205 38.487 0.179 0.000 1.081 527 N HN 0.647 nan 8.380 nan 0.000 0.557 528 W N -0.419 120.882 121.300 0.001 0.000 2.850 528 W HA 0.269 4.929 4.660 -0.000 0.000 0.260 528 W C 0.079 176.593 176.519 -0.008 0.000 1.129 528 W CA 0.930 58.258 57.345 -0.029 0.000 1.587 528 W CB 0.014 29.414 29.460 -0.100 0.000 1.041 528 W HN 0.241 nan 8.180 nan 0.000 0.614 529 S N 0.517 116.227 115.700 0.016 0.000 2.627 529 S HA 0.712 5.182 4.470 -0.000 0.000 0.283 529 S C -0.612 174.000 174.600 0.020 0.000 1.127 529 S CA -0.922 57.228 58.200 -0.083 0.000 0.863 529 S CB 2.129 65.158 63.200 -0.285 0.000 1.121 529 S HN 0.192 nan 8.310 nan 0.000 0.479 530 M N 0.454 120.075 119.600 0.036 0.000 2.631 530 M HA 0.771 5.250 4.480 -0.000 0.000 0.288 530 M C -1.858 174.527 176.300 0.142 0.000 1.260 530 M CA -1.097 54.249 55.300 0.077 0.000 0.842 530 M CB 1.593 34.164 32.600 -0.048 0.000 1.743 530 M HN 0.603 nan 8.290 nan 0.000 0.461 531 L N 1.878 123.273 121.223 0.287 0.000 2.292 531 L HA 0.449 4.788 4.340 -0.000 0.000 0.284 531 L C -0.725 176.256 176.870 0.185 0.000 1.065 531 L CA 0.349 55.361 54.840 0.286 0.000 0.806 531 L CB 1.047 43.337 42.059 0.386 0.000 1.175 531 L HN 0.750 nan 8.230 nan 0.000 0.431 532 D N 6.728 127.208 120.400 0.133 0.000 2.358 532 D HA 0.152 4.792 4.640 -0.000 0.000 0.258 532 D C -1.764 174.452 176.300 -0.140 0.000 1.223 532 D CA -1.830 52.231 54.000 0.103 0.000 0.886 532 D CB 1.643 42.596 40.800 0.256 0.000 1.120 532 D HN 0.404 nan 8.370 nan 0.000 0.482 533 P HA -0.172 nan 4.420 nan 0.000 0.217 533 P C 1.429 178.556 177.300 -0.289 0.000 1.151 533 P CA 1.230 63.815 63.100 -0.858 0.000 0.849 533 P CB -0.084 30.981 31.700 -1.058 0.000 0.787 534 I N -5.157 115.348 120.570 -0.109 0.000 3.578 534 I HA 0.121 4.291 4.170 -0.000 0.000 0.295 534 I C 0.095 176.306 176.117 0.157 0.000 1.280 534 I CA 0.509 61.808 61.300 -0.001 0.000 1.347 534 I CB -0.223 37.798 38.000 0.034 0.000 1.051 534 I HN -0.313 nan 8.210 nan 0.000 0.460 535 K N 3.143 123.637 120.400 0.156 0.000 2.229 535 K HA 0.371 4.690 4.320 -0.000 0.000 0.247 535 K C -0.610 176.134 176.600 0.241 0.000 1.117 535 K CA -0.434 55.977 56.287 0.207 0.000 1.036 535 K CB 1.015 33.618 32.500 0.172 0.000 1.654 535 K HN 0.062 nan 8.250 nan 0.000 0.405 536 V N 2.082 122.189 119.914 0.322 0.000 2.387 536 V HA 0.063 4.183 4.120 -0.000 0.000 0.260 536 V C 0.571 176.894 176.094 0.382 0.000 1.054 536 V CA -0.221 62.291 62.300 0.354 0.000 0.967 536 V CB 0.492 32.599 31.823 0.474 0.000 1.036 536 V HN 0.449 nan 8.190 nan 0.000 0.481 537 S N 6.017 121.905 115.700 0.313 0.000 2.554 537 S HA 0.635 5.105 4.470 -0.000 0.000 0.278 537 S C -0.282 174.436 174.600 0.195 0.000 1.242 537 S CA -0.442 57.897 58.200 0.232 0.000 1.051 537 S CB 0.972 64.329 63.200 0.261 0.000 0.986 537 S HN 0.452 nan 8.310 nan 0.000 0.502 538 I N 3.448 124.092 120.570 0.124 0.000 2.465 538 I HA 0.396 4.565 4.170 -0.000 0.000 0.291 538 I C -0.797 175.339 176.117 0.032 0.000 1.014 538 I CA -0.620 60.745 61.300 0.110 0.000 1.093 538 I CB 1.547 39.693 38.000 0.244 0.000 1.267 538 I HN 0.489 nan 8.210 nan 0.000 0.431 539 L N 5.532 126.767 121.223 0.021 0.000 2.294 539 L HA 0.614 4.954 4.340 -0.000 0.000 0.283 539 L C 0.593 177.551 176.870 0.147 0.000 1.015 539 L CA -0.685 54.144 54.840 -0.017 0.000 0.831 539 L CB 1.535 43.467 42.059 -0.212 0.000 1.217 539 L HN 0.646 nan 8.230 nan 0.000 0.420 540 A N 5.939 128.917 122.820 0.263 0.000 2.445 540 A HA 0.545 4.865 4.320 -0.000 0.000 0.242 540 A C -2.183 175.446 177.584 0.075 0.000 1.075 540 A CA -0.987 51.173 52.037 0.205 0.000 0.777 540 A CB -0.297 18.862 19.000 0.264 0.000 1.013 540 A HN 0.447 nan 8.150 nan 0.000 0.493 541 P HA 0.387 nan 4.420 nan 0.000 0.274 541 P C 0.682 177.779 177.300 -0.338 0.000 1.231 541 P CA 0.912 63.909 63.100 -0.171 0.000 0.790 541 P CB 1.393 33.011 31.700 -0.138 0.000 0.951 542 G N 0.788 109.291 108.800 -0.494 0.000 3.505 542 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.210 542 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.210 542 G C -0.290 174.255 174.900 -0.592 0.000 1.047 542 G CA -0.151 44.611 45.100 -0.564 0.000 0.884 542 G HN 0.561 nan 8.290 nan 0.000 0.434 543 M N 3.266 122.355 119.600 -0.851 0.000 2.084 543 M HA 0.696 5.176 4.480 -0.000 0.000 0.351 543 M C 0.755 176.912 176.300 -0.239 0.000 1.240 543 M CA -0.742 54.279 55.300 -0.466 0.000 1.083 543 M CB 0.743 33.081 32.600 -0.438 0.000 1.593 543 M HN 0.414 nan 8.290 nan 0.000 0.463 544 G N 3.315 112.022 108.800 -0.155 0.000 2.569 544 G HA2 0.153 4.113 3.960 -0.000 0.000 0.249 544 G HA3 0.153 4.113 3.960 -0.000 0.000 0.249 544 G C 0.215 175.049 174.900 -0.110 0.000 1.216 544 G CA -0.443 44.601 45.100 -0.093 0.000 0.845 544 G HN 0.868 nan 8.290 nan 0.000 0.568 545 E N -0.125 120.038 120.200 -0.063 0.000 2.472 545 E HA -0.117 4.232 4.350 -0.000 0.000 0.200 545 E C 1.301 177.854 176.600 -0.079 0.000 1.046 545 E CA 0.847 57.210 56.400 -0.062 0.000 0.871 545 E CB 0.285 29.976 29.700 -0.015 0.000 0.806 545 E HN 0.680 nan 8.360 nan 0.000 0.533 546 D N -1.164 119.193 120.400 -0.072 0.000 2.350 546 D HA -0.003 4.637 4.640 -0.000 0.000 0.213 546 D C 1.276 177.525 176.300 -0.085 0.000 1.031 546 D CA 0.813 54.775 54.000 -0.064 0.000 0.861 546 D CB 0.415 41.190 40.800 -0.041 0.000 0.926 546 D HN 0.157 nan 8.370 nan 0.000 0.520 547 G N -0.091 108.635 108.800 -0.123 0.000 2.159 547 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.227 547 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.227 547 G C -0.213 174.621 174.900 -0.109 0.000 0.986 547 G CA -0.178 44.837 45.100 -0.141 0.000 0.651 547 G HN 0.334 nan 8.290 nan 0.000 0.523 548 E N -0.108 120.039 120.200 -0.088 0.000 2.256 548 E HA 0.558 4.908 4.350 -0.000 0.000 0.267 548 E C 0.446 177.019 176.600 -0.044 0.000 0.892 548 E CA -0.919 55.447 56.400 -0.056 0.000 0.775 548 E CB 1.699 31.377 29.700 -0.037 0.000 1.207 548 E HN 0.268 nan 8.360 nan 0.000 0.420 549 L N 2.220 123.433 121.223 -0.017 0.000 2.513 549 L HA 0.018 4.358 4.340 -0.000 0.000 0.272 549 L C 1.204 178.145 176.870 0.118 0.000 1.187 549 L CA 0.502 55.368 54.840 0.044 0.000 0.895 549 L CB -0.043 42.001 42.059 -0.026 0.000 1.147 549 L HN 0.362 nan 8.230 nan 0.000 0.483 550 E N 2.021 122.331 120.200 0.184 0.000 2.816 550 E HA -0.017 4.333 4.350 -0.000 0.000 0.260 550 E C 0.774 177.522 176.600 0.247 0.000 1.414 550 E CA -0.592 55.893 56.400 0.142 0.000 1.074 550 E CB 0.541 30.263 29.700 0.037 0.000 1.123 550 E HN 0.517 nan 8.360 nan 0.000 0.664 551 E N -0.157 120.121 120.200 0.130 0.000 2.106 551 E HA -0.066 4.284 4.350 -0.000 0.000 0.192 551 E C 0.805 177.488 176.600 0.139 0.000 0.984 551 E CA 1.171 57.657 56.400 0.143 0.000 0.806 551 E CB -0.053 29.688 29.700 0.067 0.000 0.750 551 E HN 0.572 nan 8.360 nan 0.000 0.458 552 T N -2.766 111.706 114.554 -0.136 0.000 2.864 552 T HA 0.764 5.114 4.350 -0.000 0.000 0.289 552 T C 0.149 174.162 174.700 -1.145 0.000 1.082 552 T CA -0.490 61.243 62.100 -0.611 0.000 1.009 552 T CB 2.513 71.196 68.868 -0.309 0.000 1.234 552 T HN 0.121 nan 8.240 nan 0.000 0.526 553 G N -0.689 107.173 108.800 -1.563 0.000 2.523 553 G HA2 0.531 4.491 3.960 -0.000 0.000 0.291 553 G HA3 0.531 4.491 3.960 -0.000 0.000 0.291 553 G C -1.964 172.615 174.900 -0.536 0.000 1.450 553 G CA -0.682 43.855 45.100 -0.938 0.000 0.790 553 G HN 0.935 nan 8.290 nan 0.000 0.496 554 V N 1.645 121.350 119.914 -0.348 0.000 2.334 554 V HA 0.469 4.589 4.120 -0.000 0.000 0.281 554 V C -2.280 173.806 176.094 -0.014 0.000 1.016 554 V CA -1.597 60.461 62.300 -0.404 0.000 0.832 554 V CB 1.711 32.904 31.823 -1.049 0.000 0.999 554 V HN 0.548 nan 8.190 nan 0.000 0.439 555 P HA 0.268 nan 4.420 nan 0.000 0.282 555 P C 0.700 177.918 177.300 -0.137 0.000 1.262 555 P CA -0.254 62.762 63.100 -0.141 0.000 0.773 555 P CB 1.404 33.046 31.700 -0.097 0.000 0.879 556 A N 4.343 127.060 122.820 -0.171 0.000 2.084 556 A HA -0.199 4.121 4.320 -0.000 0.000 0.221 556 A C 2.096 179.628 177.584 -0.087 0.000 1.161 556 A CA 2.120 54.095 52.037 -0.103 0.000 0.653 556 A CB -1.411 17.527 19.000 -0.102 0.000 0.802 556 A HN 0.539 nan 8.150 nan 0.000 0.457 557 A N -0.701 122.061 122.820 -0.097 0.000 1.908 557 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 557 A C 2.061 179.735 177.584 0.149 0.000 1.181 557 A CA 1.770 53.822 52.037 0.024 0.000 0.627 557 A CB -0.498 18.515 19.000 0.023 0.000 0.818 557 A HN 0.496 nan 8.150 nan 0.000 0.445 558 L N -0.271 120.987 121.223 0.058 0.000 2.056 558 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 558 L C 2.534 179.567 176.870 0.270 0.000 1.078 558 L CA 1.524 56.489 54.840 0.209 0.000 0.749 558 L CB -0.514 41.666 42.059 0.202 0.000 0.901 558 L HN 0.208 nan 8.230 nan 0.000 0.433 559 V N -1.088 118.798 119.914 -0.046 0.000 2.233 559 V HA -0.342 3.778 4.120 -0.000 0.000 0.247 559 V C 2.425 178.574 176.094 0.092 0.000 1.050 559 V CA 2.314 64.444 62.300 -0.283 0.000 1.010 559 V CB -1.311 30.241 31.823 -0.451 0.000 0.637 559 V HN 0.468 nan 8.190 nan 0.000 0.444 560 T N 0.533 115.128 114.554 0.069 0.000 2.665 560 T HA -0.258 4.091 4.350 -0.000 0.000 0.268 560 T C 2.069 176.866 174.700 0.162 0.000 1.035 560 T CA 1.907 64.062 62.100 0.092 0.000 1.151 560 T CB -0.578 68.315 68.868 0.042 0.000 0.862 560 T HN 0.602 nan 8.240 nan 0.000 0.438 561 A N 1.453 124.416 122.820 0.239 0.000 1.892 561 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 561 A C 2.156 179.917 177.584 0.294 0.000 1.188 561 A CA 1.703 53.884 52.037 0.241 0.000 0.631 561 A CB -1.216 18.005 19.000 0.367 0.000 0.822 561 A HN 0.794 nan 8.150 nan 0.000 0.447 562 W N 0.614 122.053 121.300 0.233 0.000 2.355 562 W HA -0.193 4.467 4.660 -0.000 0.000 0.309 562 W C 1.741 178.467 176.519 0.345 0.000 1.206 562 W CA 1.777 59.314 57.345 0.319 0.000 1.284 562 W CB -0.439 29.305 29.460 0.473 0.000 1.145 562 W HN 0.317 nan 8.180 nan 0.000 0.502 563 L N 1.064 122.442 121.223 0.258 0.000 2.012 563 L HA -0.190 4.149 4.340 -0.000 0.000 0.210 563 L C 2.873 179.787 176.870 0.072 0.000 1.073 563 L CA 1.846 56.761 54.840 0.124 0.000 0.748 563 L CB -1.567 40.589 42.059 0.163 0.000 0.891 563 L HN 0.099 nan 8.230 nan 0.000 0.431 564 G N -0.643 108.192 108.800 0.058 0.000 2.462 564 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 564 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 564 G C 1.717 176.575 174.900 -0.071 0.000 1.121 564 G CA 0.442 45.544 45.100 0.004 0.000 0.758 564 G HN 0.301 nan 8.290 nan 0.000 0.559 565 R N -0.732 119.679 120.500 -0.148 0.000 2.189 565 R HA -0.031 4.309 4.340 -0.000 0.000 0.223 565 R C 1.224 177.190 176.300 -0.556 0.000 1.092 565 R CA 0.990 56.875 56.100 -0.359 0.000 0.989 565 R CB -0.111 29.895 30.300 -0.491 0.000 0.876 565 R HN 0.515 nan 8.270 nan 0.000 0.457 566 H N -1.347 117.568 119.070 -0.259 0.000 2.520 566 H HA 0.244 4.800 4.556 -0.000 0.000 0.284 566 H C 0.481 175.735 175.328 -0.122 0.000 1.037 566 H CA 0.344 56.267 56.048 -0.208 0.000 1.168 566 H CB 0.855 30.462 29.762 -0.258 0.000 1.497 566 H HN 0.259 nan 8.280 nan 0.000 0.547 567 G N 1.430 110.209 108.800 -0.035 0.000 2.367 567 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.295 567 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.295 567 G C -0.368 174.536 174.900 0.008 0.000 1.019 567 G CA 0.130 45.219 45.100 -0.018 0.000 1.224 567 G HN 0.414 nan 8.290 nan 0.000 0.510 568 I N -0.112 120.475 120.570 0.028 0.000 2.512 568 I HA 0.419 4.589 4.170 -0.000 0.000 0.287 568 I C -0.146 176.014 176.117 0.073 0.000 1.069 568 I CA -1.091 60.241 61.300 0.053 0.000 1.056 568 I CB 2.463 40.502 38.000 0.066 0.000 1.229 568 I HN -0.009 nan 8.210 nan 0.000 0.429 569 V N 7.237 127.192 119.914 0.069 0.000 2.357 569 V HA 0.377 4.497 4.120 -0.000 0.000 0.281 569 V C -2.009 174.111 176.094 0.043 0.000 1.015 569 V CA -1.352 60.976 62.300 0.047 0.000 0.827 569 V CB 1.185 33.023 31.823 0.025 0.000 1.018 569 V HN 0.581 nan 8.190 nan 0.000 0.432 570 P HA 0.197 nan 4.420 nan 0.000 0.271 570 P C 1.051 178.286 177.300 -0.109 0.000 1.216 570 P CA -0.098 62.906 63.100 -0.160 0.000 0.776 570 P CB 1.137 32.567 31.700 -0.450 0.000 0.881 571 T N 0.844 115.344 114.554 -0.090 0.000 2.737 571 T HA -0.081 4.269 4.350 -0.000 0.000 0.265 571 T C 1.049 175.709 174.700 -0.066 0.000 1.038 571 T CA 0.900 62.973 62.100 -0.044 0.000 1.144 571 T CB -0.053 68.794 68.868 -0.035 0.000 0.866 571 T HN 0.379 nan 8.240 nan 0.000 0.434 572 R N -0.093 120.346 120.500 -0.100 0.000 2.892 572 R HA 0.616 4.956 4.340 -0.000 0.000 0.265 572 R C -1.467 174.766 176.300 -0.111 0.000 1.025 572 R CA -0.552 55.505 56.100 -0.073 0.000 0.982 572 R CB 2.115 32.394 30.300 -0.036 0.000 1.185 572 R HN 0.107 nan 8.270 nan 0.000 0.484 573 T N 1.275 115.787 114.554 -0.070 0.000 3.483 573 T HA 0.189 4.539 4.350 -0.000 0.000 0.329 573 T C -0.413 174.252 174.700 -0.058 0.000 1.014 573 T CA -0.726 61.321 62.100 -0.089 0.000 1.056 573 T CB 1.449 70.263 68.868 -0.089 0.000 1.090 573 T HN 0.791 nan 8.240 nan 0.000 0.460 574 T N -0.076 114.433 114.554 -0.074 0.000 2.946 574 T HA 0.376 4.726 4.350 -0.000 0.000 0.295 574 T C 0.941 175.551 174.700 -0.150 0.000 1.143 574 T CA -0.307 61.753 62.100 -0.067 0.000 0.944 574 T CB 0.503 69.353 68.868 -0.030 0.000 1.800 574 T HN 0.229 nan 8.240 nan 0.000 0.590 575 D N -0.073 120.212 120.400 -0.192 0.000 2.117 575 D HA 0.027 4.666 4.640 -0.000 0.000 0.197 575 D C 1.080 176.953 176.300 -0.711 0.000 0.987 575 D CA 1.377 55.089 54.000 -0.480 0.000 0.829 575 D CB -0.158 40.361 40.800 -0.469 0.000 0.961 575 D HN 0.515 nan 8.370 nan 0.000 0.460 576 F N -0.522 119.441 119.950 0.022 0.000 2.746 576 F HA 0.227 4.754 4.527 -0.000 0.000 0.320 576 F C 0.811 176.579 175.800 -0.053 0.000 1.097 576 F CA -0.431 57.586 58.000 0.028 0.000 1.195 576 F CB 0.584 39.660 39.000 0.126 0.000 1.056 576 F HN -0.250 nan 8.300 nan 0.000 0.562 577 Q N 1.810 121.616 119.800 0.009 0.000 2.312 577 Q HA 0.614 4.954 4.340 -0.000 0.000 0.263 577 Q C -1.308 174.617 176.000 -0.125 0.000 0.995 577 Q CA -0.383 55.355 55.803 -0.108 0.000 0.853 577 Q CB 1.950 30.574 28.738 -0.191 0.000 1.300 577 Q HN 0.305 nan 8.270 nan 0.000 0.448 578 I N 3.793 124.268 120.570 -0.158 0.000 2.499 578 I HA 0.390 4.560 4.170 -0.000 0.000 0.288 578 I C -0.488 175.393 176.117 -0.393 0.000 1.048 578 I CA -0.422 60.702 61.300 -0.294 0.000 1.062 578 I CB 2.148 39.952 38.000 -0.328 0.000 1.238 578 I HN 0.569 nan 8.210 nan 0.000 0.426 579 M N 6.121 125.469 119.600 -0.421 0.000 2.336 579 M HA 0.577 5.056 4.480 -0.000 0.000 0.342 579 M C -1.786 174.247 176.300 -0.445 0.000 1.128 579 M CA -0.417 54.702 55.300 -0.302 0.000 1.016 579 M CB 1.346 33.893 32.600 -0.089 0.000 1.665 579 M HN 0.374 nan 8.290 nan 0.000 0.445 580 F N 4.854 124.910 119.950 0.176 0.000 2.449 580 F HA 0.429 4.956 4.527 -0.000 0.000 0.342 580 F C -0.603 175.336 175.800 0.232 0.000 1.127 580 F CA -0.807 57.293 58.000 0.166 0.000 0.975 580 F CB 1.272 40.404 39.000 0.220 0.000 1.146 580 F HN 0.373 nan 8.300 nan 0.000 0.444 581 L N 4.940 126.323 121.223 0.267 0.000 2.278 581 L HA 0.447 4.787 4.340 -0.000 0.000 0.287 581 L C -1.090 175.869 176.870 0.150 0.000 1.072 581 L CA -0.038 54.940 54.840 0.230 0.000 0.819 581 L CB -0.300 41.854 42.059 0.158 0.000 1.176 581 L HN 0.383 nan 8.230 nan 0.000 0.435 582 F N 3.644 123.659 119.950 0.109 0.000 2.404 582 F HA 0.607 5.134 4.527 -0.000 0.000 0.339 582 F C 0.705 176.524 175.800 0.032 0.000 1.105 582 F CA -0.008 58.033 58.000 0.067 0.000 1.087 582 F CB 1.723 40.760 39.000 0.061 0.000 1.143 582 F HN 0.613 nan 8.300 nan 0.000 0.491 583 S N 2.444 118.217 115.700 0.122 0.000 2.685 583 S HA 0.411 4.881 4.470 -0.000 0.000 0.282 583 S C 0.295 174.919 174.600 0.040 0.000 1.159 583 S CA -0.958 57.276 58.200 0.057 0.000 0.833 583 S CB 1.470 64.710 63.200 0.067 0.000 1.151 583 S HN 0.691 nan 8.310 nan 0.000 0.485 584 M N 0.982 120.588 119.600 0.010 0.000 2.435 584 M HA 0.012 4.491 4.480 -0.000 0.000 0.262 584 M C 1.887 178.199 176.300 0.020 0.000 1.065 584 M CA 1.668 56.976 55.300 0.013 0.000 1.076 584 M CB -0.735 31.866 32.600 0.002 0.000 1.403 584 M HN 0.951 nan 8.290 nan 0.000 0.454 585 G N -0.266 108.547 108.800 0.021 0.000 2.813 585 G HA2 0.168 4.127 3.960 -0.000 0.000 0.209 585 G HA3 0.168 4.127 3.960 -0.000 0.000 0.209 585 G C 0.494 175.394 174.900 0.000 0.000 1.150 585 G CA -0.190 44.917 45.100 0.013 0.000 0.785 585 G HN 0.229 nan 8.290 nan 0.000 0.535 586 V N 1.726 121.640 119.914 0.001 0.000 2.775 586 V HA 0.397 4.516 4.120 -0.000 0.000 0.299 586 V C 0.860 176.959 176.094 0.009 0.000 1.062 586 V CA -0.275 62.012 62.300 -0.021 0.000 1.063 586 V CB 1.106 32.895 31.823 -0.056 0.000 0.994 586 V HN 0.328 nan 8.190 nan 0.000 0.483 587 T N 2.352 116.899 114.554 -0.011 0.000 2.929 587 T HA 0.526 4.876 4.350 -0.000 0.000 0.284 587 T C -0.035 174.672 174.700 0.013 0.000 1.014 587 T CA -0.952 61.148 62.100 -0.001 0.000 1.051 587 T CB 0.870 69.724 68.868 -0.023 0.000 1.028 587 T HN 0.555 nan 8.240 nan 0.000 0.485 588 R N 0.690 121.205 120.500 0.025 0.000 2.522 588 R HA 0.387 4.726 4.340 -0.000 0.000 0.284 588 R C 1.564 177.836 176.300 -0.048 0.000 1.032 588 R CA 1.064 57.192 56.100 0.047 0.000 1.049 588 R CB 0.006 30.338 30.300 0.053 0.000 0.956 588 R HN 1.170 nan 8.270 nan 0.000 0.422 589 G N 2.394 111.128 108.800 -0.110 0.000 2.179 589 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.260 589 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.260 589 G C 0.950 175.473 174.900 -0.628 0.000 0.977 589 G CA 0.643 45.454 45.100 -0.482 0.000 0.641 589 G HN 0.569 nan 8.290 nan 0.000 0.533 590 K N 1.090 121.294 120.400 -0.327 0.000 2.209 590 K HA -0.030 4.290 4.320 -0.000 0.000 0.204 590 K C 2.341 178.775 176.600 -0.277 0.000 1.048 590 K CA 2.014 58.149 56.287 -0.254 0.000 0.940 590 K CB -0.596 31.814 32.500 -0.149 0.000 0.729 590 K HN 0.796 nan 8.250 nan 0.000 0.451 591 W N -0.404 120.830 121.300 -0.110 0.000 2.364 591 W HA -0.033 4.627 4.660 -0.000 0.000 0.281 591 W C 1.465 177.902 176.519 -0.137 0.000 1.219 591 W CA 0.641 57.844 57.345 -0.238 0.000 1.220 591 W CB -1.221 28.197 29.460 -0.070 0.000 1.127 591 W HN 0.157 nan 8.180 nan 0.000 0.556 592 G N 1.333 109.805 108.800 -0.546 0.000 2.469 592 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.220 592 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.220 592 G C 1.526 176.374 174.900 -0.086 0.000 1.136 592 G CA 2.256 47.142 45.100 -0.358 0.000 0.759 592 G HN 0.404 nan 8.290 nan 0.000 0.562 593 T N 0.152 114.624 114.554 -0.136 0.000 2.881 593 T HA 0.025 4.375 4.350 -0.000 0.000 0.270 593 T C 2.419 177.086 174.700 -0.055 0.000 1.068 593 T CA 1.080 63.130 62.100 -0.083 0.000 1.131 593 T CB -0.197 68.609 68.868 -0.102 0.000 0.871 593 T HN 0.256 nan 8.240 nan 0.000 0.479 594 L N 0.383 121.551 121.223 -0.093 0.000 2.044 594 L HA -0.001 4.339 4.340 -0.000 0.000 0.205 594 L C 2.810 179.742 176.870 0.104 0.000 1.075 594 L CA 0.867 55.622 54.840 -0.142 0.000 0.747 594 L CB -0.696 41.041 42.059 -0.537 0.000 0.903 594 L HN 0.152 nan 8.230 nan 0.000 0.435 595 V N 0.575 120.674 119.914 0.309 0.000 2.332 595 V HA -0.326 3.794 4.120 -0.000 0.000 0.248 595 V C 2.409 178.692 176.094 0.315 0.000 1.055 595 V CA 2.198 64.752 62.300 0.424 0.000 1.038 595 V CB -0.840 31.296 31.823 0.521 0.000 0.651 595 V HN 0.591 nan 8.190 nan 0.000 0.450 596 N N 0.301 119.123 118.700 0.204 0.000 2.120 596 N HA -0.166 4.574 4.740 -0.000 0.000 0.188 596 N C 1.737 177.363 175.510 0.193 0.000 1.024 596 N CA 2.213 55.365 53.050 0.169 0.000 0.852 596 N CB -0.066 38.475 38.487 0.091 0.000 1.003 596 N HN 0.547 nan 8.380 nan 0.000 0.424 597 T N 1.630 116.269 114.554 0.141 0.000 2.857 597 T HA 0.056 4.406 4.350 -0.000 0.000 0.266 597 T C 2.101 177.052 174.700 0.418 0.000 1.048 597 T CA 0.452 62.653 62.100 0.169 0.000 1.139 597 T CB -0.060 68.771 68.868 -0.062 0.000 0.874 597 T HN 0.158 nan 8.240 nan 0.000 0.455 598 L N 0.422 121.816 121.223 0.285 0.000 2.131 598 L HA -0.089 4.251 4.340 -0.000 0.000 0.210 598 L C 2.734 179.904 176.870 0.499 0.000 1.092 598 L CA 0.740 55.736 54.840 0.262 0.000 0.759 598 L CB -0.640 41.424 42.059 0.008 0.000 0.903 598 L HN 0.375 nan 8.230 nan 0.000 0.435 599 C N -0.622 118.960 119.300 0.470 0.000 2.457 599 C HA -0.115 4.344 4.460 -0.000 0.000 0.278 599 C C 3.212 178.389 174.990 0.312 0.000 1.309 599 C CA 1.129 60.398 59.018 0.418 0.000 1.735 599 C CB -0.694 27.241 27.740 0.325 0.000 1.992 599 C HN 0.682 nan 8.230 nan 0.000 0.493 600 S N 0.581 116.495 115.700 0.356 0.000 2.387 600 S HA -0.166 4.304 4.470 -0.000 0.000 0.226 600 S C 1.658 176.373 174.600 0.190 0.000 1.026 600 S CA 1.189 59.598 58.200 0.347 0.000 0.972 600 S CB -0.911 62.644 63.200 0.591 0.000 0.814 600 S HN 0.590 nan 8.310 nan 0.000 0.477 601 F N 3.095 123.033 119.950 -0.019 0.000 2.046 601 F HA -0.088 4.439 4.527 -0.000 0.000 0.297 601 F C 2.547 178.322 175.800 -0.041 0.000 1.123 601 F CA 2.013 59.724 58.000 -0.483 0.000 1.199 601 F CB -0.330 38.503 39.000 -0.278 0.000 0.972 601 F HN 0.047 nan 8.300 nan 0.000 0.474 602 K N 0.887 121.456 120.400 0.281 0.000 2.103 602 K HA -0.258 4.062 4.320 -0.000 0.000 0.207 602 K C 2.402 178.988 176.600 -0.024 0.000 1.048 602 K CA 1.711 58.053 56.287 0.092 0.000 0.930 602 K CB -0.521 31.886 32.500 -0.155 0.000 0.716 602 K HN 0.363 nan 8.250 nan 0.000 0.444 603 R N -0.428 120.045 120.500 -0.044 0.000 2.070 603 R HA -0.149 4.191 4.340 -0.000 0.000 0.233 603 R C 2.283 178.484 176.300 -0.165 0.000 1.137 603 R CA 1.529 57.566 56.100 -0.105 0.000 0.945 603 R CB -0.294 29.925 30.300 -0.135 0.000 0.845 603 R HN 0.338 nan 8.270 nan 0.000 0.430 604 H N -1.104 117.875 119.070 -0.152 0.000 2.423 604 H HA -0.147 4.408 4.556 -0.000 0.000 0.297 604 H C 1.712 176.912 175.328 -0.213 0.000 1.075 604 H CA 1.486 57.413 56.048 -0.201 0.000 1.342 604 H CB -0.263 29.288 29.762 -0.353 0.000 1.395 604 H HN 0.324 nan 8.280 nan 0.000 0.530 605 Y N 2.129 122.221 120.300 -0.347 0.000 2.145 605 Y HA -0.187 4.363 4.550 -0.000 0.000 0.286 605 Y C 1.816 177.677 175.900 -0.065 0.000 1.145 605 Y CA 1.622 59.518 58.100 -0.340 0.000 1.148 605 Y CB -0.031 38.143 38.460 -0.477 0.000 0.981 605 Y HN 0.066 nan 8.280 nan 0.000 0.507 606 D N -0.216 120.239 120.400 0.092 0.000 2.178 606 D HA -0.100 4.540 4.640 -0.000 0.000 0.202 606 D C 2.090 178.425 176.300 0.059 0.000 0.974 606 D CA 1.318 55.389 54.000 0.118 0.000 0.841 606 D CB -0.542 40.340 40.800 0.137 0.000 0.953 606 D HN 0.434 nan 8.370 nan 0.000 0.478 607 A N 0.621 123.453 122.820 0.020 0.000 2.167 607 A HA -0.096 4.224 4.320 -0.000 0.000 0.214 607 A C 0.978 178.573 177.584 0.019 0.000 1.151 607 A CA 0.726 52.775 52.037 0.020 0.000 0.735 607 A CB -0.515 18.495 19.000 0.018 0.000 0.802 607 A HN 0.220 nan 8.150 nan 0.000 0.467 608 N N -0.226 118.472 118.700 -0.005 0.000 2.727 608 N HA -0.137 4.602 4.740 -0.000 0.000 0.249 608 N C -0.356 175.164 175.510 0.017 0.000 1.048 608 N CA 1.100 54.139 53.050 -0.018 0.000 0.714 608 N CB -2.235 36.231 38.487 -0.036 0.000 0.959 608 N HN 0.395 nan 8.380 nan 0.000 0.544 609 T N 1.359 115.945 114.554 0.053 0.000 2.933 609 T HA 0.121 4.470 4.350 -0.000 0.000 0.306 609 T C -2.173 172.557 174.700 0.050 0.000 1.045 609 T CA -0.292 61.859 62.100 0.085 0.000 1.143 609 T CB 0.497 69.465 68.868 0.167 0.000 1.003 609 T HN 0.190 nan 8.240 nan 0.000 0.540 610 P HA 0.052 nan 4.420 nan 0.000 0.264 610 P C 0.853 178.189 177.300 0.061 0.000 1.183 610 P CA 0.059 63.194 63.100 0.059 0.000 0.763 610 P CB 0.342 32.077 31.700 0.060 0.000 0.807 611 L N 2.278 123.548 121.223 0.078 0.000 2.353 611 L HA -0.190 4.150 4.340 -0.000 0.000 0.220 611 L C 2.191 179.111 176.870 0.082 0.000 1.133 611 L CA 1.346 56.238 54.840 0.085 0.000 0.798 611 L CB -0.675 41.443 42.059 0.100 0.000 0.922 611 L HN 0.439 nan 8.230 nan 0.000 0.445 612 A N -0.420 122.448 122.820 0.079 0.000 2.015 612 A HA -0.190 4.129 4.320 -0.000 0.000 0.219 612 A C 2.186 179.805 177.584 0.059 0.000 1.163 612 A CA 1.317 53.396 52.037 0.071 0.000 0.646 612 A CB -0.136 18.905 19.000 0.067 0.000 0.806 612 A HN 0.502 nan 8.150 nan 0.000 0.448 613 Q N -0.962 118.872 119.800 0.057 0.000 2.304 613 Q HA 0.044 4.384 4.340 -0.000 0.000 0.204 613 Q C 1.963 177.994 176.000 0.051 0.000 0.936 613 Q CA 1.162 56.995 55.803 0.051 0.000 0.878 613 Q CB 0.018 28.789 28.738 0.054 0.000 0.983 613 Q HN 0.635 nan 8.270 nan 0.000 0.516 614 V N -2.814 117.130 119.914 0.051 0.000 3.354 614 V HA 0.227 4.347 4.120 -0.000 0.000 0.258 614 V C 1.021 177.232 176.094 0.196 0.000 1.159 614 V CA 0.612 62.980 62.300 0.114 0.000 1.125 614 V CB 0.126 31.950 31.823 0.001 0.000 0.774 614 V HN 0.180 nan 8.190 nan 0.000 0.464 615 M N 0.406 120.082 119.600 0.126 0.000 3.269 615 M HA 0.368 4.848 4.480 -0.000 0.000 0.340 615 M C -2.277 174.059 176.300 0.059 0.000 1.662 615 M CA -1.059 54.306 55.300 0.109 0.000 0.547 615 M CB 1.890 34.570 32.600 0.134 0.000 1.449 615 M HN 0.061 nan 8.290 nan 0.000 0.459 616 P HA -0.139 nan 4.420 nan 0.000 0.218 616 P C 0.656 177.971 177.300 0.025 0.000 1.148 616 P CA 1.473 64.593 63.100 0.034 0.000 0.822 616 P CB 0.296 32.007 31.700 0.019 0.000 0.784 617 E N -0.836 119.368 120.200 0.008 0.000 2.107 617 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 617 E C 1.856 178.464 176.600 0.014 0.000 0.982 617 E CA 0.574 56.970 56.400 -0.007 0.000 0.809 617 E CB -1.161 28.522 29.700 -0.028 0.000 0.756 617 E HN 0.114 nan 8.360 nan 0.000 0.459 618 L N 0.225 121.466 121.223 0.029 0.000 2.046 618 L HA -0.140 4.199 4.340 -0.000 0.000 0.208 618 L C 1.954 178.946 176.870 0.204 0.000 1.077 618 L CA 1.306 56.194 54.840 0.081 0.000 0.747 618 L CB -0.106 41.910 42.059 -0.072 0.000 0.896 618 L HN 0.030 nan 8.230 nan 0.000 0.432 619 V N -1.026 118.976 119.914 0.147 0.000 2.591 619 V HA -0.146 3.974 4.120 -0.000 0.000 0.249 619 V C 2.531 178.702 176.094 0.128 0.000 1.053 619 V CA 1.405 63.822 62.300 0.196 0.000 1.068 619 V CB -0.738 31.175 31.823 0.150 0.000 0.689 619 V HN 0.462 nan 8.190 nan 0.000 0.462 620 E N 0.561 120.799 120.200 0.063 0.000 2.077 620 E HA -0.264 4.085 4.350 -0.000 0.000 0.193 620 E C 2.235 178.812 176.600 -0.038 0.000 0.989 620 E CA 1.692 58.099 56.400 0.011 0.000 0.800 620 E CB 0.081 29.775 29.700 -0.009 0.000 0.746 620 E HN 0.727 nan 8.360 nan 0.000 0.452 621 Q N -1.239 118.510 119.800 -0.086 0.000 2.163 621 Q HA -0.086 4.253 4.340 -0.000 0.000 0.198 621 Q C -0.007 175.712 176.000 -0.469 0.000 0.954 621 Q CA 0.793 56.391 55.803 -0.343 0.000 0.851 621 Q CB 0.325 28.752 28.738 -0.519 0.000 0.928 621 Q HN 0.208 nan 8.270 nan 0.000 0.459 622 Y N -0.673 119.702 120.300 0.124 0.000 2.490 622 Y HA 0.306 4.856 4.550 -0.000 0.000 0.346 622 Y C -2.002 173.974 175.900 0.128 0.000 1.023 622 Y CA -1.947 56.224 58.100 0.118 0.000 1.142 622 Y CB 1.159 39.714 38.460 0.159 0.000 1.126 622 Y HN 0.165 nan 8.280 nan 0.000 0.647 623 P HA -0.125 nan 4.420 nan 0.000 0.222 623 P C 0.454 177.818 177.300 0.107 0.000 1.147 623 P CA 1.391 64.580 63.100 0.149 0.000 0.790 623 P CB 0.565 32.316 31.700 0.086 0.000 0.780 624 D N -1.035 119.409 120.400 0.072 0.000 2.317 624 D HA -0.036 4.604 4.640 -0.000 0.000 0.211 624 D C 1.538 177.806 176.300 -0.053 0.000 0.966 624 D CA 1.148 55.159 54.000 0.017 0.000 0.876 624 D CB -0.412 40.396 40.800 0.013 0.000 0.927 624 D HN 0.177 nan 8.370 nan 0.000 0.519 625 T N -1.262 113.205 114.554 -0.146 0.000 3.037 625 T HA 0.028 4.378 4.350 -0.000 0.000 0.252 625 T C 0.736 175.175 174.700 -0.436 0.000 1.073 625 T CA 0.342 62.179 62.100 -0.437 0.000 1.091 625 T CB 0.239 68.589 68.868 -0.864 0.000 0.935 625 T HN 0.134 nan 8.240 nan 0.000 0.488 626 Y N 0.718 121.084 120.300 0.110 0.000 2.499 626 Y HA 0.643 5.193 4.550 -0.000 0.000 0.253 626 Y C 1.097 177.056 175.900 0.098 0.000 1.105 626 Y CA -1.650 56.521 58.100 0.119 0.000 1.240 626 Y CB -0.092 38.465 38.460 0.162 0.000 1.289 626 Y HN 0.083 nan 8.280 nan 0.000 0.534 627 A N 1.081 124.017 122.820 0.194 0.000 2.498 627 A HA 0.243 4.562 4.320 -0.000 0.000 0.239 627 A C 0.870 178.520 177.584 0.108 0.000 1.068 627 A CA 0.423 52.540 52.037 0.133 0.000 0.766 627 A CB -0.194 18.861 19.000 0.092 0.000 1.003 627 A HN 0.595 nan 8.150 nan 0.000 0.497 628 N N -1.084 117.672 118.700 0.093 0.000 2.936 628 N HA -0.149 4.590 4.740 -0.000 0.000 0.236 628 N C -0.242 175.318 175.510 0.083 0.000 0.930 628 N CA 1.742 54.836 53.050 0.074 0.000 0.966 628 N CB -1.530 36.991 38.487 0.057 0.000 1.090 628 N HN 0.778 nan 8.380 nan 0.000 0.592 629 M N 0.545 120.215 119.600 0.118 0.000 2.314 629 M HA 0.450 4.930 4.480 -0.000 0.000 0.342 629 M C 1.182 177.545 176.300 0.105 0.000 1.171 629 M CA -0.192 55.184 55.300 0.127 0.000 1.098 629 M CB 1.488 34.210 32.600 0.204 0.000 1.559 629 M HN 0.159 nan 8.290 nan 0.000 0.459 630 G N 1.008 109.855 108.800 0.079 0.000 2.521 630 G HA2 0.460 4.420 3.960 -0.000 0.000 0.323 630 G HA3 0.460 4.420 3.960 -0.000 0.000 0.323 630 G C 0.354 175.292 174.900 0.065 0.000 1.211 630 G CA -0.641 44.493 45.100 0.057 0.000 0.979 630 G HN 0.872 nan 8.290 nan 0.000 0.490 631 I N -1.113 119.481 120.570 0.040 0.000 2.394 631 I HA -0.104 4.066 4.170 -0.000 0.000 0.251 631 I C 2.262 178.401 176.117 0.036 0.000 1.136 631 I CA 1.023 62.357 61.300 0.056 0.000 1.425 631 I CB 0.074 38.089 38.000 0.025 0.000 1.079 631 I HN 0.624 nan 8.210 nan 0.000 0.425 632 H N 1.100 120.004 119.070 -0.276 0.000 2.395 632 H HA -0.140 4.416 4.556 -0.000 0.000 0.299 632 H C 1.681 176.895 175.328 -0.190 0.000 1.070 632 H CA 1.670 57.389 56.048 -0.549 0.000 1.356 632 H CB -0.194 29.166 29.762 -0.671 0.000 1.401 632 H HN 0.368 nan 8.280 nan 0.000 0.524 633 D N 0.667 121.102 120.400 0.059 0.000 2.103 633 D HA -0.179 4.461 4.640 -0.000 0.000 0.190 633 D C 2.455 178.835 176.300 0.133 0.000 0.997 633 D CA 1.036 55.078 54.000 0.070 0.000 0.833 633 D CB -0.641 40.197 40.800 0.062 0.000 0.961 633 D HN 0.266 nan 8.370 nan 0.000 0.447 634 L N 1.208 122.517 121.223 0.143 0.000 2.013 634 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 634 L C 2.269 179.201 176.870 0.103 0.000 1.073 634 L CA 2.353 57.281 54.840 0.146 0.000 0.753 634 L CB -1.187 40.943 42.059 0.119 0.000 0.890 634 L HN 0.098 nan 8.230 nan 0.000 0.432 635 G N -1.151 107.753 108.800 0.174 0.000 2.446 635 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.217 635 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.217 635 G C 1.303 176.343 174.900 0.233 0.000 1.168 635 G CA 0.930 46.168 45.100 0.230 0.000 0.771 635 G HN 0.447 nan 8.290 nan 0.000 0.551 636 D N 0.173 120.727 120.400 0.256 0.000 2.117 636 D HA -0.070 4.570 4.640 -0.000 0.000 0.197 636 D C 2.790 179.247 176.300 0.262 0.000 0.987 636 D CA 1.520 55.674 54.000 0.258 0.000 0.829 636 D CB -0.717 40.196 40.800 0.188 0.000 0.961 636 D HN 0.239 nan 8.370 nan 0.000 0.460 637 T N 0.725 115.415 114.554 0.226 0.000 2.720 637 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 637 T C 2.121 177.029 174.700 0.347 0.000 1.037 637 T CA 0.992 63.260 62.100 0.280 0.000 1.144 637 T CB -0.145 68.913 68.868 0.316 0.000 0.864 637 T HN 0.147 nan 8.240 nan 0.000 0.444 638 M N -0.334 119.330 119.600 0.106 0.000 2.132 638 M HA 0.044 4.524 4.480 -0.000 0.000 0.263 638 M C 2.003 178.466 176.300 0.272 0.000 1.065 638 M CA 1.435 56.646 55.300 -0.148 0.000 1.122 638 M CB -0.295 32.039 32.600 -0.443 0.000 1.365 638 M HN 0.192 nan 8.290 nan 0.000 0.411 639 F N 0.798 120.845 119.950 0.162 0.000 2.146 639 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 639 F C 2.359 178.300 175.800 0.235 0.000 1.096 639 F CA 1.380 59.506 58.000 0.210 0.000 1.275 639 F CB -0.410 38.695 39.000 0.175 0.000 1.008 639 F HN 0.059 nan 8.300 nan 0.000 0.480 640 A N -0.434 122.569 122.820 0.306 0.000 1.908 640 A HA -0.294 4.025 4.320 -0.000 0.000 0.218 640 A C 2.141 179.812 177.584 0.144 0.000 1.181 640 A CA 1.728 53.874 52.037 0.182 0.000 0.627 640 A CB -1.915 17.200 19.000 0.191 0.000 0.818 640 A HN 0.730 nan 8.150 nan 0.000 0.445 641 W N 0.607 121.973 121.300 0.109 0.000 2.338 641 W HA -0.172 4.487 4.660 -0.000 0.000 0.304 641 W C 1.770 178.346 176.519 0.095 0.000 1.212 641 W CA 1.906 59.325 57.345 0.124 0.000 1.264 641 W CB -0.184 29.485 29.460 0.350 0.000 1.142 641 W HN 0.275 nan 8.180 nan 0.000 0.512 642 L N 0.645 122.118 121.223 0.417 0.000 2.083 642 L HA -0.257 4.082 4.340 -0.000 0.000 0.209 642 L C 2.657 179.431 176.870 -0.160 0.000 1.083 642 L CA 1.207 56.141 54.840 0.157 0.000 0.752 642 L CB -0.941 41.145 42.059 0.045 0.000 0.899 642 L HN -0.116 nan 8.230 nan 0.000 0.433 643 K N 0.028 120.277 120.400 -0.252 0.000 2.026 643 K HA -0.216 4.103 4.320 -0.000 0.000 0.208 643 K C 2.044 178.530 176.600 -0.191 0.000 1.048 643 K CA 1.467 57.614 56.287 -0.233 0.000 0.929 643 K CB -0.172 32.220 32.500 -0.180 0.000 0.713 643 K HN 0.206 nan 8.250 nan 0.000 0.439 644 E N 1.346 121.408 120.200 -0.230 0.000 2.051 644 E HA -0.087 4.263 4.350 -0.000 0.000 0.189 644 E C 1.332 177.731 176.600 -0.335 0.000 0.979 644 E CA 1.489 57.737 56.400 -0.254 0.000 0.803 644 E CB -0.134 29.407 29.700 -0.264 0.000 0.761 644 E HN 0.288 nan 8.360 nan 0.000 0.451 645 N N 0.749 119.112 118.700 -0.562 0.000 2.424 645 N HA -0.025 4.715 4.740 -0.000 0.000 0.178 645 N C -0.354 174.958 175.510 -0.330 0.000 1.060 645 N CA 0.663 53.350 53.050 -0.605 0.000 0.901 645 N CB -0.000 37.722 38.487 -1.274 0.000 0.979 645 N HN 0.116 nan 8.380 nan 0.000 0.451 646 N N 0.385 118.939 118.700 -0.242 0.000 2.642 646 N HA -0.112 4.628 4.740 -0.000 0.000 0.269 646 N C -1.919 173.581 175.510 -0.016 0.000 1.073 646 N CA 0.193 53.183 53.050 -0.100 0.000 0.748 646 N CB -0.023 38.411 38.487 -0.088 0.000 0.894 646 N HN 0.219 nan 8.380 nan 0.000 0.548 647 P HA -0.042 nan 4.420 nan 0.000 0.219 647 P C 1.572 178.945 177.300 0.122 0.000 1.150 647 P CA 1.541 64.751 63.100 0.183 0.000 0.814 647 P CB -0.246 31.630 31.700 0.293 0.000 0.787 648 G N 0.928 109.764 108.800 0.060 0.000 2.476 648 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.218 648 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.218 648 G C 1.798 176.677 174.900 -0.035 0.000 1.164 648 G CA 1.253 46.355 45.100 0.004 0.000 0.768 648 G HN 0.385 nan 8.290 nan 0.000 0.560 649 A N 0.309 123.115 122.820 -0.023 0.000 1.897 649 A HA 0.088 4.408 4.320 -0.000 0.000 0.215 649 A C 2.479 180.046 177.584 -0.028 0.000 1.181 649 A CA 1.288 53.306 52.037 -0.032 0.000 0.620 649 A CB -0.288 18.695 19.000 -0.029 0.000 0.821 649 A HN 0.206 nan 8.150 nan 0.000 0.443 650 R N -0.482 120.023 120.500 0.008 0.000 2.117 650 R HA -0.144 4.196 4.340 -0.000 0.000 0.243 650 R C 2.123 178.371 176.300 -0.087 0.000 1.143 650 R CA 1.539 57.670 56.100 0.053 0.000 0.968 650 R CB -1.151 29.272 30.300 0.204 0.000 0.863 650 R HN 0.650 nan 8.270 nan 0.000 0.444 651 L N 1.036 122.091 121.223 -0.280 0.000 2.044 651 L HA -0.134 4.206 4.340 -0.000 0.000 0.205 651 L C 1.928 178.650 176.870 -0.246 0.000 1.075 651 L CA 1.408 55.844 54.840 -0.673 0.000 0.747 651 L CB -0.327 41.378 42.059 -0.591 0.000 0.903 651 L HN 0.087 nan 8.230 nan 0.000 0.435 652 N N 0.329 118.942 118.700 -0.146 0.000 2.104 652 N HA -0.243 4.496 4.740 -0.000 0.000 0.190 652 N C 1.696 177.198 175.510 -0.013 0.000 1.024 652 N CA 1.831 54.843 53.050 -0.064 0.000 0.853 652 N CB -0.185 38.266 38.487 -0.059 0.000 1.008 652 N HN 0.501 nan 8.380 nan 0.000 0.424 653 E N 0.571 120.754 120.200 -0.028 0.000 2.051 653 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 653 E C 1.919 178.509 176.600 -0.017 0.000 0.991 653 E CA 1.052 57.444 56.400 -0.014 0.000 0.799 653 E CB -0.131 29.564 29.700 -0.008 0.000 0.748 653 E HN 0.348 nan 8.360 nan 0.000 0.449 654 A N 0.254 123.058 122.820 -0.027 0.000 2.076 654 A HA -0.176 4.143 4.320 -0.000 0.000 0.220 654 A C 1.274 178.721 177.584 -0.229 0.000 1.160 654 A CA 1.289 53.276 52.037 -0.083 0.000 0.653 654 A CB -0.405 18.558 19.000 -0.060 0.000 0.801 654 A HN 0.303 nan 8.150 nan 0.000 0.455 655 Y N -1.333 118.891 120.300 -0.126 0.000 2.481 655 Y HA 0.210 4.760 4.550 -0.000 0.000 0.247 655 Y C 2.408 178.261 175.900 -0.077 0.000 1.151 655 Y CA 0.329 58.366 58.100 -0.105 0.000 1.238 655 Y CB 0.326 38.708 38.460 -0.129 0.000 1.179 655 Y HN 0.238 nan 8.280 nan 0.000 0.524 656 S N -0.565 115.151 115.700 0.028 0.000 2.336 656 S HA 0.072 4.542 4.470 -0.000 0.000 0.216 656 S C 1.289 175.884 174.600 -0.008 0.000 1.032 656 S CA 0.879 59.084 58.200 0.009 0.000 0.973 656 S CB -0.463 62.737 63.200 -0.001 0.000 0.888 656 S HN 0.378 nan 8.310 nan 0.000 0.455 657 G N 1.352 110.137 108.800 -0.024 0.000 2.335 657 G HA2 0.567 4.527 3.960 -0.000 0.000 0.316 657 G HA3 0.567 4.527 3.960 -0.000 0.000 0.316 657 G C -0.590 174.280 174.900 -0.050 0.000 1.129 657 G CA -0.634 44.451 45.100 -0.025 0.000 0.899 657 G HN 0.319 nan 8.290 nan 0.000 0.448 658 L N 3.125 124.326 121.223 -0.037 0.000 2.578 658 L HA 0.060 4.400 4.340 -0.000 0.000 0.279 658 L C -1.523 175.309 176.870 -0.062 0.000 1.227 658 L CA -1.036 53.770 54.840 -0.057 0.000 0.900 658 L CB 0.430 42.490 42.059 0.002 0.000 1.144 658 L HN 0.331 nan 8.230 nan 0.000 0.496 659 P HA 0.011 nan 4.420 nan 0.000 0.268 659 P C -0.766 176.501 177.300 -0.055 0.000 1.208 659 P CA -0.401 62.641 63.100 -0.097 0.000 0.777 659 P CB 0.414 32.013 31.700 -0.169 0.000 0.875 660 V N 1.634 121.526 119.914 -0.036 0.000 2.415 660 V HA 0.255 4.375 4.120 -0.000 0.000 0.267 660 V C 0.869 176.957 176.094 -0.011 0.000 1.042 660 V CA -0.686 61.608 62.300 -0.010 0.000 1.000 660 V CB -0.461 31.361 31.823 -0.001 0.000 1.015 660 V HN 0.684 nan 8.190 nan 0.000 0.478 661 A N 3.816 126.645 122.820 0.016 0.000 2.524 661 A HA 0.209 4.529 4.320 -0.000 0.000 0.250 661 A C 1.012 178.606 177.584 0.016 0.000 1.078 661 A CA 0.027 52.081 52.037 0.028 0.000 0.761 661 A CB 0.087 19.132 19.000 0.076 0.000 1.012 661 A HN 0.982 nan 8.150 nan 0.000 0.500 662 E N 1.255 121.460 120.200 0.009 0.000 2.256 662 E HA 0.202 4.552 4.350 -0.000 0.000 0.198 662 E C 0.298 176.906 176.600 0.013 0.000 0.908 662 E CA 0.840 57.246 56.400 0.010 0.000 0.915 662 E CB 0.605 30.309 29.700 0.008 0.000 0.890 662 E HN 0.764 nan 8.360 nan 0.000 0.484 663 V N -0.903 119.020 119.914 0.015 0.000 3.141 663 V HA 0.516 4.636 4.120 -0.000 0.000 0.312 663 V C 0.128 176.238 176.094 0.027 0.000 1.157 663 V CA -0.694 61.617 62.300 0.018 0.000 1.041 663 V CB 1.057 32.891 31.823 0.019 0.000 1.071 663 V HN 0.186 nan 8.190 nan 0.000 0.441 664 T N -0.981 113.588 114.554 0.026 0.000 2.900 664 T HA 0.314 4.664 4.350 -0.000 0.000 0.307 664 T C -1.592 173.137 174.700 0.047 0.000 1.065 664 T CA -0.452 61.667 62.100 0.032 0.000 1.105 664 T CB 0.684 69.563 68.868 0.018 0.000 0.979 664 T HN 0.633 nan 8.240 nan 0.000 0.544 665 P HA -0.164 nan 4.420 nan 0.000 0.216 665 P C 1.713 179.063 177.300 0.083 0.000 1.154 665 P CA 1.248 64.388 63.100 0.067 0.000 0.865 665 P CB 0.011 31.748 31.700 0.062 0.000 0.789 666 R N 0.225 120.762 120.500 0.063 0.000 2.083 666 R HA -0.177 4.163 4.340 -0.000 0.000 0.237 666 R C 2.144 178.512 176.300 0.114 0.000 1.137 666 R CA 1.799 57.951 56.100 0.086 0.000 0.951 666 R CB -0.518 29.807 30.300 0.041 0.000 0.851 666 R HN 0.185 nan 8.270 nan 0.000 0.434 667 E N -0.291 119.950 120.200 0.068 0.000 2.077 667 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 667 E C 1.950 178.580 176.600 0.050 0.000 0.989 667 E CA 1.192 57.623 56.400 0.051 0.000 0.800 667 E CB -0.125 29.593 29.700 0.030 0.000 0.746 667 E HN 0.504 nan 8.360 nan 0.000 0.452 668 A N 0.688 123.545 122.820 0.061 0.000 1.902 668 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 668 A C 2.026 179.644 177.584 0.057 0.000 1.181 668 A CA 1.328 53.396 52.037 0.051 0.000 0.623 668 A CB -0.733 18.299 19.000 0.053 0.000 0.818 668 A HN 0.406 nan 8.150 nan 0.000 0.443 669 Y N 1.499 121.803 120.300 0.006 0.000 2.181 669 Y HA -0.223 4.327 4.550 -0.000 0.000 0.288 669 Y C 2.063 177.967 175.900 0.005 0.000 1.146 669 Y CA 2.096 60.200 58.100 0.006 0.000 1.164 669 Y CB -0.291 38.171 38.460 0.004 0.000 0.982 669 Y HN 0.324 nan 8.280 nan 0.000 0.515 670 N N 0.530 119.213 118.700 -0.028 0.000 2.272 670 N HA -0.168 4.572 4.740 -0.000 0.000 0.185 670 N C 1.879 177.303 175.510 -0.144 0.000 1.014 670 N CA 1.201 54.198 53.050 -0.089 0.000 0.870 670 N CB -0.622 37.878 38.487 0.021 0.000 0.975 670 N HN 0.555 nan 8.380 nan 0.000 0.433 671 A N 0.852 123.603 122.820 -0.115 0.000 1.933 671 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 671 A C 2.276 179.778 177.584 -0.136 0.000 1.175 671 A CA 0.726 52.707 52.037 -0.093 0.000 0.628 671 A CB -0.527 18.445 19.000 -0.047 0.000 0.814 671 A HN 0.211 nan 8.150 nan 0.000 0.444 672 I N -0.258 120.173 120.570 -0.232 0.000 2.127 672 I HA -0.256 3.913 4.170 -0.000 0.000 0.241 672 I C 2.354 178.325 176.117 -0.243 0.000 1.075 672 I CA 1.519 62.664 61.300 -0.258 0.000 1.334 672 I CB -0.498 37.261 38.000 -0.402 0.000 1.040 672 I HN 0.169 nan 8.210 nan 0.000 0.405 673 V N 0.475 120.190 119.914 -0.332 0.000 2.332 673 V HA -0.297 3.822 4.120 -0.000 0.000 0.248 673 V C 1.565 177.594 176.094 -0.108 0.000 1.055 673 V CA 1.915 64.096 62.300 -0.198 0.000 1.038 673 V CB -0.779 30.946 31.823 -0.163 0.000 0.651 673 V HN 0.411 nan 8.190 nan 0.000 0.450 674 D N 0.038 120.379 120.400 -0.099 0.000 2.390 674 D HA -0.046 4.594 4.640 -0.000 0.000 0.235 674 D C 1.146 177.416 176.300 -0.049 0.000 1.040 674 D CA 0.365 54.330 54.000 -0.059 0.000 0.923 674 D CB -0.772 39.999 40.800 -0.048 0.000 0.886 674 D HN 0.463 nan 8.370 nan 0.000 0.532 675 N N 0.881 119.546 118.700 -0.059 0.000 2.708 675 N HA -0.262 4.477 4.740 -0.000 0.000 0.249 675 N C -0.406 175.084 175.510 -0.033 0.000 1.097 675 N CA 0.371 53.395 53.050 -0.043 0.000 0.710 675 N CB -1.460 37.009 38.487 -0.030 0.000 1.032 675 N HN 0.165 nan 8.380 nan 0.000 0.551 676 N N -0.393 118.283 118.700 -0.039 0.000 2.538 676 N HA 0.275 5.015 4.740 -0.000 0.000 0.291 676 N C -0.811 174.689 175.510 -0.018 0.000 1.323 676 N CA 0.094 53.130 53.050 -0.024 0.000 0.934 676 N CB 0.321 38.794 38.487 -0.024 0.000 1.255 676 N HN 0.215 nan 8.380 nan 0.000 0.509 677 V N -2.273 117.632 119.914 -0.015 0.000 3.102 677 V HA 0.792 4.912 4.120 -0.000 0.000 0.312 677 V C -0.698 175.402 176.094 0.010 0.000 1.135 677 V CA -1.002 61.298 62.300 -0.000 0.000 1.022 677 V CB 2.023 33.841 31.823 -0.008 0.000 1.056 677 V HN 0.316 nan 8.190 nan 0.000 0.436 678 E N 1.931 122.147 120.200 0.027 0.000 2.430 678 E HA 0.559 4.909 4.350 -0.000 0.000 0.279 678 E C -1.740 174.894 176.600 0.056 0.000 1.003 678 E CA -1.133 55.288 56.400 0.034 0.000 0.801 678 E CB 2.647 32.366 29.700 0.032 0.000 1.313 678 E HN 0.648 nan 8.360 nan 0.000 0.459 679 L N 1.901 123.163 121.223 0.065 0.000 2.283 679 L HA 0.284 4.624 4.340 -0.000 0.000 0.287 679 L C -0.744 176.227 176.870 0.168 0.000 1.073 679 L CA -0.743 54.163 54.840 0.111 0.000 0.822 679 L CB 1.096 43.201 42.059 0.077 0.000 1.186 679 L HN 0.336 nan 8.230 nan 0.000 0.436 680 V N 3.053 123.047 119.914 0.134 0.000 2.370 680 V HA 0.199 4.319 4.120 -0.000 0.000 0.279 680 V C 0.552 176.596 176.094 -0.083 0.000 1.029 680 V CA -0.378 61.952 62.300 0.049 0.000 0.870 680 V CB 1.523 33.346 31.823 -0.001 0.000 0.984 680 V HN 0.793 nan 8.190 nan 0.000 0.451 681 S N 3.611 119.163 115.700 -0.247 0.000 2.576 681 S HA 0.154 4.624 4.470 -0.000 0.000 0.272 681 S C 1.375 175.761 174.600 -0.357 0.000 1.352 681 S CA -0.039 57.765 58.200 -0.659 0.000 1.021 681 S CB 0.385 63.308 63.200 -0.462 0.000 0.887 681 S HN 0.706 nan 8.310 nan 0.000 0.542 682 I N 2.097 122.475 120.570 -0.320 0.000 2.194 682 I HA -0.147 4.023 4.170 -0.000 0.000 0.246 682 I C 1.820 177.820 176.117 -0.194 0.000 1.093 682 I CA 1.697 62.870 61.300 -0.212 0.000 1.355 682 I CB -0.124 37.799 38.000 -0.128 0.000 1.046 682 I HN 0.659 nan 8.210 nan 0.000 0.413 683 E N 0.791 120.897 120.200 -0.156 0.000 2.347 683 E HA -0.086 4.264 4.350 -0.000 0.000 0.196 683 E C 1.159 177.694 176.600 -0.109 0.000 1.008 683 E CA 0.537 56.867 56.400 -0.116 0.000 0.852 683 E CB -0.338 29.309 29.700 -0.088 0.000 0.783 683 E HN 0.629 nan 8.360 nan 0.000 0.505 684 N N 0.198 118.823 118.700 -0.125 0.000 2.270 684 N HA 0.086 4.826 4.740 -0.000 0.000 0.198 684 N C 1.604 177.041 175.510 -0.121 0.000 1.117 684 N CA 0.017 53.009 53.050 -0.097 0.000 0.845 684 N CB 0.461 38.906 38.487 -0.071 0.000 0.980 684 N HN 0.183 nan 8.380 nan 0.000 0.486 685 L N 1.067 122.162 121.223 -0.213 0.000 2.156 685 L HA 0.029 4.369 4.340 -0.000 0.000 0.208 685 L C -1.384 175.370 176.870 -0.194 0.000 1.095 685 L CA 0.563 55.189 54.840 -0.356 0.000 0.770 685 L CB -1.440 40.153 42.059 -0.777 0.000 0.914 685 L HN -0.029 nan 8.230 nan 0.000 0.439 686 P HA 0.000 nan 4.420 nan 0.000 0.265 686 P C 0.750 178.079 177.300 0.049 0.000 1.193 686 P CA 1.539 64.649 63.100 0.017 0.000 0.765 686 P CB 0.987 32.687 31.700 -0.000 0.000 0.823 687 G N 2.263 111.122 108.800 0.098 0.000 2.241 687 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.244 687 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.244 687 G C 0.206 175.170 174.900 0.107 0.000 0.998 687 G CA -0.368 44.781 45.100 0.081 0.000 0.621 687 G HN 0.567 nan 8.290 nan 0.000 0.519 688 R N 0.329 120.932 120.500 0.172 0.000 2.404 688 R HA 0.638 4.978 4.340 -0.000 0.000 0.291 688 R C 0.441 176.887 176.300 0.243 0.000 1.025 688 R CA -0.885 55.333 56.100 0.196 0.000 0.991 688 R CB 0.693 31.104 30.300 0.185 0.000 1.053 688 R HN 0.339 nan 8.270 nan 0.000 0.479 689 I N 1.777 122.429 120.570 0.137 0.000 2.371 689 I HA 0.159 4.329 4.170 -0.000 0.000 0.290 689 I C 0.677 176.842 176.117 0.081 0.000 1.028 689 I CA -0.393 60.945 61.300 0.064 0.000 1.345 689 I CB 1.326 39.347 38.000 0.036 0.000 1.407 689 I HN 0.530 nan 8.210 nan 0.000 0.501 690 A N 5.018 127.818 122.820 -0.032 0.000 2.454 690 A HA 0.500 4.819 4.320 -0.000 0.000 0.260 690 A C 1.051 178.648 177.584 0.022 0.000 1.106 690 A CA -0.011 52.021 52.037 -0.009 0.000 0.780 690 A CB 0.534 19.387 19.000 -0.246 0.000 1.044 690 A HN 0.943 nan 8.150 nan 0.000 0.498 691 A N 2.951 125.812 122.820 0.068 0.000 2.169 691 A HA 0.242 4.561 4.320 -0.000 0.000 0.212 691 A C 0.730 178.356 177.584 0.070 0.000 1.153 691 A CA 1.043 53.114 52.037 0.056 0.000 0.756 691 A CB -0.484 18.545 19.000 0.049 0.000 0.813 691 A HN 1.052 nan 8.150 nan 0.000 0.471 692 N N -1.689 117.052 118.700 0.069 0.000 2.853 692 N HA 0.421 5.160 4.740 -0.000 0.000 0.258 692 N C -0.480 175.052 175.510 0.036 0.000 1.444 692 N CA 0.006 53.097 53.050 0.068 0.000 0.837 692 N CB 0.515 39.051 38.487 0.082 0.000 1.489 692 N HN -0.000 nan 8.380 nan 0.000 0.529 693 S N -0.845 114.872 115.700 0.028 0.000 2.585 693 S HA 0.506 4.975 4.470 -0.000 0.000 0.273 693 S C -0.204 174.413 174.600 0.029 0.000 1.339 693 S CA -0.692 57.509 58.200 0.002 0.000 1.028 693 S CB 0.450 63.648 63.200 -0.004 0.000 0.906 693 S HN 0.522 nan 8.310 nan 0.000 0.528 694 V N 2.841 122.766 119.914 0.018 0.000 2.380 694 V HA 0.388 4.508 4.120 -0.000 0.000 0.286 694 V C -0.513 175.622 176.094 0.068 0.000 1.015 694 V CA -0.530 61.815 62.300 0.075 0.000 0.834 694 V CB 0.597 32.504 31.823 0.140 0.000 1.009 694 V HN 0.869 nan 8.190 nan 0.000 0.428 695 I N 7.539 128.158 120.570 0.082 0.000 2.388 695 I HA 0.357 4.527 4.170 -0.000 0.000 0.281 695 I C -2.310 173.829 176.117 0.036 0.000 1.046 695 I CA -1.800 59.518 61.300 0.030 0.000 1.187 695 I CB 1.838 39.842 38.000 0.006 0.000 1.351 695 I HN 0.381 nan 8.210 nan 0.000 0.472 696 P HA 0.175 nan 4.420 nan 0.000 0.277 696 P C -1.442 175.812 177.300 -0.077 0.000 1.240 696 P CA -0.189 62.989 63.100 0.131 0.000 0.798 696 P CB 0.711 32.575 31.700 0.273 0.000 0.979 697 Y N 2.304 122.675 120.300 0.119 0.000 2.338 697 Y HA 0.336 4.886 4.550 -0.000 0.000 0.328 697 Y C -1.698 174.288 175.900 0.143 0.000 0.965 697 Y CA -2.138 56.020 58.100 0.097 0.000 1.208 697 Y CB 1.439 39.940 38.460 0.067 0.000 1.132 697 Y HN 0.305 nan 8.280 nan 0.000 0.469 698 P HA 0.194 nan 4.420 nan 0.000 0.276 698 P C -2.403 174.921 177.300 0.040 0.000 1.261 698 P CA -1.873 61.264 63.100 0.061 0.000 0.800 698 P CB 1.360 33.080 31.700 0.034 0.000 1.066 699 P HA 0.077 nan 4.420 nan 0.000 0.257 699 P C 0.860 177.982 177.300 -0.297 0.000 1.325 699 P CA 0.426 63.375 63.100 -0.251 0.000 0.850 699 P CB -0.435 31.002 31.700 -0.439 0.000 1.324 700 G N 1.416 109.894 108.800 -0.536 0.000 2.258 700 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.274 700 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.274 700 G C 0.117 174.727 174.900 -0.482 0.000 1.021 700 G CA 0.602 45.088 45.100 -1.024 0.000 0.798 700 G HN 0.594 nan 8.290 nan 0.000 0.507 701 I N -3.080 117.351 120.570 -0.232 0.000 2.797 701 I HA 0.812 4.981 4.170 -0.000 0.000 0.307 701 I C -2.294 173.857 176.117 0.057 0.000 1.033 701 I CA -3.415 57.867 61.300 -0.029 0.000 1.071 701 I CB 2.325 40.371 38.000 0.076 0.000 1.255 701 I HN -0.113 nan 8.210 nan 0.000 0.445 702 P HA 0.080 nan 4.420 nan 0.000 0.271 702 P C -0.097 177.200 177.300 -0.004 0.000 1.216 702 P CA -0.162 62.945 63.100 0.012 0.000 0.771 702 P CB 1.470 33.147 31.700 -0.039 0.000 0.864 703 M N 3.429 122.994 119.600 -0.059 0.000 2.276 703 M HA 0.055 4.535 4.480 -0.000 0.000 0.262 703 M C -0.219 175.902 176.300 -0.298 0.000 1.098 703 M CA 1.563 56.682 55.300 -0.302 0.000 1.167 703 M CB 0.118 32.622 32.600 -0.159 0.000 1.337 703 M HN 0.156 nan 8.290 nan 0.000 0.446 704 L N 0.739 121.834 121.223 -0.212 0.000 2.334 704 L HA 0.527 4.867 4.340 -0.000 0.000 0.273 704 L C -0.782 175.974 176.870 -0.189 0.000 1.013 704 L CA -0.377 54.306 54.840 -0.261 0.000 0.816 704 L CB 1.892 43.713 42.059 -0.397 0.000 1.278 704 L HN 0.213 nan 8.230 nan 0.000 0.431 705 L N 0.133 121.241 121.223 -0.192 0.000 2.365 705 L HA 0.510 4.850 4.340 -0.000 0.000 0.267 705 L C 0.306 177.128 176.870 -0.081 0.000 1.033 705 L CA -0.840 53.934 54.840 -0.111 0.000 0.802 705 L CB 1.674 43.676 42.059 -0.095 0.000 1.267 705 L HN 0.556 nan 8.230 nan 0.000 0.457 706 S N 0.521 116.209 115.700 -0.020 0.000 2.546 706 S HA 0.260 4.730 4.470 -0.000 0.000 0.290 706 S C 0.885 175.488 174.600 0.006 0.000 1.290 706 S CA 0.622 58.825 58.200 0.006 0.000 1.069 706 S CB 0.620 63.854 63.200 0.057 0.000 0.846 706 S HN 1.022 nan 8.310 nan 0.000 0.495 707 G N 2.471 111.266 108.800 -0.008 0.000 2.213 707 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.226 707 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.226 707 G C -0.257 174.627 174.900 -0.026 0.000 0.992 707 G CA -0.274 44.826 45.100 0.001 0.000 0.632 707 G HN 0.639 nan 8.290 nan 0.000 0.511 708 E N 0.836 120.989 120.200 -0.079 0.000 2.313 708 E HA 0.388 4.738 4.350 -0.000 0.000 0.272 708 E C -0.110 176.384 176.600 -0.177 0.000 1.038 708 E CA -0.719 55.610 56.400 -0.119 0.000 0.863 708 E CB 0.829 30.430 29.700 -0.165 0.000 1.060 708 E HN 0.203 nan 8.360 nan 0.000 0.402 709 N N 1.697 120.327 118.700 -0.117 0.000 2.524 709 N HA 0.069 4.809 4.740 -0.000 0.000 0.283 709 N C 0.045 175.490 175.510 -0.108 0.000 1.142 709 N CA 0.010 53.019 53.050 -0.068 0.000 0.984 709 N CB 0.568 39.058 38.487 0.004 0.000 1.155 709 N HN 0.382 nan 8.380 nan 0.000 0.467 710 F N 1.431 121.379 119.950 -0.004 0.000 2.407 710 F HA 0.138 4.665 4.527 -0.000 0.000 0.299 710 F C 1.821 177.614 175.800 -0.012 0.000 1.097 710 F CA 1.234 59.229 58.000 -0.009 0.000 1.422 710 F CB -0.244 38.756 39.000 0.000 0.000 1.067 710 F HN 0.734 nan 8.300 nan 0.000 0.539 711 G N -0.011 108.879 108.800 0.149 0.000 2.409 711 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.421 711 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.421 711 G C -1.184 173.760 174.900 0.073 0.000 1.259 711 G CA -0.543 44.607 45.100 0.084 0.000 1.011 711 G HN 0.270 nan 8.290 nan 0.000 0.497 712 D N -0.323 120.105 120.400 0.046 0.000 2.469 712 D HA 0.502 5.142 4.640 -0.000 0.000 0.278 712 D C 1.475 177.791 176.300 0.026 0.000 1.231 712 D CA -0.111 53.908 54.000 0.032 0.000 1.075 712 D CB 0.453 41.265 40.800 0.020 0.000 1.121 712 D HN 0.559 nan 8.370 nan 0.000 0.571 713 K N -1.105 119.303 120.400 0.013 0.000 2.283 713 K HA 0.001 4.320 4.320 -0.000 0.000 0.202 713 K C 0.504 177.107 176.600 0.005 0.000 1.048 713 K CA 0.693 56.982 56.287 0.004 0.000 0.948 713 K CB -0.233 32.266 32.500 -0.002 0.000 0.742 713 K HN 0.318 nan 8.250 nan 0.000 0.458 714 N N 1.048 119.754 118.700 0.010 0.000 2.295 714 N HA -0.036 4.704 4.740 -0.000 0.000 0.221 714 N C -0.311 175.210 175.510 0.019 0.000 1.129 714 N CA 0.072 53.128 53.050 0.010 0.000 0.836 714 N CB 0.811 39.301 38.487 0.006 0.000 1.040 714 N HN -0.043 nan 8.380 nan 0.000 0.494 715 S N 2.278 117.996 115.700 0.030 0.000 2.546 715 S HA 0.069 4.539 4.470 -0.000 0.000 0.290 715 S C -1.233 173.397 174.600 0.051 0.000 1.262 715 S CA -0.976 57.253 58.200 0.049 0.000 1.083 715 S CB 0.940 64.189 63.200 0.082 0.000 0.859 715 S HN 0.062 nan 8.310 nan 0.000 0.495 716 P HA -0.097 nan 4.420 nan 0.000 0.215 716 P C 1.272 178.624 177.300 0.087 0.000 1.153 716 P CA 1.074 64.202 63.100 0.047 0.000 0.853 716 P CB 0.104 31.813 31.700 0.014 0.000 0.788 717 Q N -0.642 119.211 119.800 0.089 0.000 2.050 717 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 717 Q C 2.127 178.246 176.000 0.199 0.000 0.980 717 Q CA 1.399 57.293 55.803 0.151 0.000 0.840 717 Q CB -1.456 27.374 28.738 0.153 0.000 0.898 717 Q HN 0.092 nan 8.270 nan 0.000 0.424 718 V N -0.190 119.812 119.914 0.146 0.000 2.515 718 V HA -0.202 3.918 4.120 -0.000 0.000 0.250 718 V C 2.084 178.201 176.094 0.037 0.000 1.058 718 V CA 1.659 63.989 62.300 0.049 0.000 1.064 718 V CB -0.508 31.298 31.823 -0.028 0.000 0.675 718 V HN 0.288 nan 8.190 nan 0.000 0.461 719 S N -1.147 114.595 115.700 0.070 0.000 2.368 719 S HA -0.185 4.285 4.470 -0.000 0.000 0.224 719 S C 1.910 176.586 174.600 0.126 0.000 1.029 719 S CA 1.464 59.707 58.200 0.071 0.000 0.988 719 S CB -0.365 62.877 63.200 0.070 0.000 0.838 719 S HN 0.688 nan 8.310 nan 0.000 0.462 720 Y N 2.179 122.499 120.300 0.033 0.000 2.242 720 Y HA 0.010 4.560 4.550 -0.000 0.000 0.291 720 Y C 1.760 177.682 175.900 0.036 0.000 1.137 720 Y CA 0.968 59.097 58.100 0.048 0.000 1.181 720 Y CB -0.447 38.062 38.460 0.081 0.000 0.989 720 Y HN 0.181 nan 8.280 nan 0.000 0.527 721 L N -0.694 120.504 121.223 -0.042 0.000 2.093 721 L HA -0.202 4.137 4.340 -0.000 0.000 0.208 721 L C 2.625 179.323 176.870 -0.287 0.000 1.085 721 L CA 1.292 56.042 54.840 -0.149 0.000 0.755 721 L CB -0.509 41.553 42.059 0.006 0.000 0.904 721 L HN 0.061 nan 8.230 nan 0.000 0.435 722 R N -0.012 120.397 120.500 -0.151 0.000 2.091 722 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 722 R C 2.671 178.940 176.300 -0.051 0.000 1.136 722 R CA 1.829 57.855 56.100 -0.124 0.000 0.959 722 R CB -0.274 29.994 30.300 -0.052 0.000 0.856 722 R HN 0.485 nan 8.270 nan 0.000 0.437 723 S N 0.512 116.216 115.700 0.006 0.000 2.387 723 S HA -0.056 4.413 4.470 -0.000 0.000 0.226 723 S C 2.082 176.795 174.600 0.189 0.000 1.026 723 S CA 0.577 58.894 58.200 0.194 0.000 0.972 723 S CB -0.409 62.927 63.200 0.227 0.000 0.814 723 S HN 0.198 nan 8.310 nan 0.000 0.477 724 L N 1.287 122.411 121.223 -0.165 0.000 1.990 724 L HA -0.195 4.145 4.340 -0.000 0.000 0.213 724 L C 3.216 180.081 176.870 -0.008 0.000 1.072 724 L CA 2.147 56.853 54.840 -0.224 0.000 0.755 724 L CB -0.777 41.068 42.059 -0.358 0.000 0.889 724 L HN 0.451 nan 8.230 nan 0.000 0.432 725 Q N -0.593 118.990 119.800 -0.363 0.000 2.135 725 Q HA -0.251 4.088 4.340 -0.000 0.000 0.204 725 Q C 2.410 178.509 176.000 0.165 0.000 0.981 725 Q CA 2.069 57.714 55.803 -0.262 0.000 0.856 725 Q CB -0.034 28.374 28.738 -0.549 0.000 0.902 725 Q HN 0.405 nan 8.270 nan 0.000 0.425 726 S N 0.024 115.858 115.700 0.224 0.000 2.348 726 S HA -0.178 4.292 4.470 -0.000 0.000 0.221 726 S C 1.440 176.286 174.600 0.411 0.000 1.033 726 S CA 1.227 59.663 58.200 0.394 0.000 1.010 726 S CB -0.705 62.861 63.200 0.610 0.000 0.891 726 S HN 0.712 nan 8.310 nan 0.000 0.442 727 W N 2.327 123.688 121.300 0.100 0.000 2.304 727 W HA -0.218 4.442 4.660 -0.000 0.000 0.315 727 W C 1.270 177.751 176.519 -0.062 0.000 1.233 727 W CA 2.233 59.340 57.345 -0.396 0.000 1.261 727 W CB -0.888 28.319 29.460 -0.422 0.000 1.150 727 W HN 0.364 nan 8.180 nan 0.000 0.494 728 D N -1.230 119.314 120.400 0.240 0.000 2.144 728 D HA -0.192 4.448 4.640 -0.000 0.000 0.199 728 D C 2.080 178.301 176.300 -0.132 0.000 0.984 728 D CA 1.528 55.596 54.000 0.114 0.000 0.834 728 D CB -0.999 39.933 40.800 0.220 0.000 0.955 728 D HN 0.327 nan 8.370 nan 0.000 0.465 729 H N -0.522 118.464 119.070 -0.139 0.000 2.389 729 H HA -0.036 4.519 4.556 -0.000 0.000 0.299 729 H C 1.823 176.871 175.328 -0.467 0.000 1.081 729 H CA 1.154 57.043 56.048 -0.265 0.000 1.345 729 H CB 0.064 29.660 29.762 -0.277 0.000 1.393 729 H HN 0.395 nan 8.280 nan 0.000 0.520 730 H N -1.198 117.637 119.070 -0.391 0.000 2.403 730 H HA 0.003 4.559 4.556 -0.000 0.000 0.298 730 H C -0.003 174.557 175.328 -1.279 0.000 1.059 730 H CA 0.697 56.217 56.048 -0.879 0.000 1.363 730 H CB 0.288 29.388 29.762 -1.104 0.000 1.410 730 H HN 0.079 nan 8.280 nan 0.000 0.528 731 F N 1.599 121.242 119.950 -0.512 0.000 2.550 731 F HA 0.291 4.818 4.527 -0.000 0.000 0.348 731 F C -2.455 173.241 175.800 -0.174 0.000 1.219 731 F CA -3.194 54.566 58.000 -0.400 0.000 1.203 731 F CB 0.686 39.190 39.000 -0.827 0.000 1.436 731 F HN -0.127 nan 8.300 nan 0.000 0.541 732 P HA 0.132 nan 4.420 nan 0.000 0.266 732 P C 0.966 178.059 177.300 -0.346 0.000 1.195 732 P CA 1.059 63.921 63.100 -0.397 0.000 0.768 732 P CB 1.241 32.388 31.700 -0.922 0.000 0.838 733 G N 1.714 110.366 108.800 -0.248 0.000 2.199 733 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.254 733 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.254 733 G C 0.168 174.768 174.900 -0.499 0.000 0.982 733 G CA -0.177 44.785 45.100 -0.230 0.000 0.632 733 G HN 0.460 nan 8.290 nan 0.000 0.529 734 F N 1.581 121.564 119.950 0.055 0.000 2.835 734 F HA 0.475 5.002 4.527 -0.000 0.000 0.342 734 F C 0.625 176.553 175.800 0.215 0.000 1.202 734 F CA -0.782 57.300 58.000 0.137 0.000 1.240 734 F CB 0.631 39.752 39.000 0.202 0.000 1.005 734 F HN -0.004 nan 8.300 nan 0.000 0.507 735 E N 0.346 120.679 120.200 0.222 0.000 2.415 735 E HA 0.031 4.381 4.350 -0.000 0.000 0.262 735 E C 0.229 176.899 176.600 0.117 0.000 1.038 735 E CA 0.204 56.739 56.400 0.225 0.000 0.921 735 E CB 0.290 30.082 29.700 0.153 0.000 0.950 735 E HN 0.192 nan 8.360 nan 0.000 0.438 736 H N 1.844 121.064 119.070 0.249 0.000 2.690 736 H HA 0.097 4.653 4.556 -0.000 0.000 0.365 736 H C -0.071 175.326 175.328 0.115 0.000 1.142 736 H CA 0.266 56.402 56.048 0.146 0.000 1.417 736 H CB 0.796 30.640 29.762 0.136 0.000 1.446 736 H HN 0.399 nan 8.280 nan 0.000 0.599 737 E N 1.937 122.265 120.200 0.214 0.000 2.133 737 E HA 0.220 4.570 4.350 -0.000 0.000 0.274 737 E C -0.600 176.138 176.600 0.230 0.000 0.930 737 E CA -0.542 55.928 56.400 0.116 0.000 0.770 737 E CB 1.426 31.099 29.700 -0.045 0.000 1.104 737 E HN 0.473 nan 8.360 nan 0.000 0.403 738 T N 2.619 117.260 114.554 0.145 0.000 2.833 738 T HA 0.208 4.558 4.350 -0.000 0.000 0.297 738 T C 0.040 174.812 174.700 0.120 0.000 1.015 738 T CA -0.652 61.556 62.100 0.181 0.000 0.963 738 T CB 1.202 70.136 68.868 0.111 0.000 0.955 738 T HN 0.232 nan 8.240 nan 0.000 0.449 739 E N 1.474 121.793 120.200 0.199 0.000 2.366 739 E HA 0.372 4.722 4.350 -0.000 0.000 0.266 739 E C 1.085 177.743 176.600 0.097 0.000 1.015 739 E CA 0.631 57.109 56.400 0.130 0.000 0.906 739 E CB 0.506 30.304 29.700 0.163 0.000 0.979 739 E HN 1.052 nan 8.360 nan 0.000 0.443 740 G N 2.873 111.714 108.800 0.068 0.000 2.192 740 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.193 740 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.193 740 G C 0.327 175.269 174.900 0.069 0.000 0.999 740 G CA 0.120 45.265 45.100 0.075 0.000 0.659 740 G HN 0.635 nan 8.290 nan 0.000 0.503 741 T N -1.378 113.189 114.554 0.022 0.000 2.952 741 T HA 0.750 5.100 4.350 -0.000 0.000 0.286 741 T C -0.579 174.100 174.700 -0.034 0.000 1.024 741 T CA -0.529 61.557 62.100 -0.023 0.000 1.029 741 T CB 2.707 71.462 68.868 -0.189 0.000 1.094 741 T HN 0.238 nan 8.240 nan 0.000 0.515 742 E N 0.768 120.960 120.200 -0.012 0.000 2.224 742 E HA 0.441 4.791 4.350 -0.000 0.000 0.265 742 E C -1.204 175.389 176.600 -0.011 0.000 0.878 742 E CA -0.764 55.620 56.400 -0.028 0.000 0.759 742 E CB 2.051 31.733 29.700 -0.030 0.000 1.164 742 E HN 0.473 nan 8.360 nan 0.000 0.414 743 I N 3.682 124.227 120.570 -0.042 0.000 2.342 743 I HA 0.246 4.415 4.170 -0.000 0.000 0.291 743 I C -0.445 175.677 176.117 0.008 0.000 1.010 743 I CA 0.041 61.353 61.300 0.021 0.000 1.308 743 I CB 0.614 38.612 38.000 -0.003 0.000 1.400 743 I HN 0.412 nan 8.210 nan 0.000 0.488 744 I N 5.908 126.503 120.570 0.042 0.000 2.447 744 I HA 0.274 4.444 4.170 -0.000 0.000 0.287 744 I C -0.611 175.549 176.117 0.072 0.000 1.023 744 I CA -0.687 60.605 61.300 -0.014 0.000 1.083 744 I CB 1.537 39.433 38.000 -0.173 0.000 1.245 744 I HN 0.552 nan 8.210 nan 0.000 0.434 745 D N 5.183 125.612 120.400 0.050 0.000 2.692 745 D HA -0.223 4.417 4.640 -0.000 0.000 0.233 745 D C 1.186 177.548 176.300 0.103 0.000 1.172 745 D CA 1.430 55.470 54.000 0.067 0.000 0.636 745 D CB -1.099 39.743 40.800 0.070 0.000 1.028 745 D HN 1.174 nan 8.370 nan 0.000 0.419 746 G N -1.042 107.810 108.800 0.085 0.000 2.168 746 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.263 746 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.263 746 G C 0.261 175.317 174.900 0.260 0.000 0.977 746 G CA 0.501 45.644 45.100 0.071 0.000 0.659 746 G HN 0.531 nan 8.290 nan 0.000 0.533 747 I N 0.380 121.127 120.570 0.296 0.000 2.377 747 I HA 0.468 4.638 4.170 -0.000 0.000 0.293 747 I C 0.203 176.586 176.117 0.443 0.000 0.987 747 I CA -1.404 60.100 61.300 0.340 0.000 1.185 747 I CB 0.956 39.093 38.000 0.229 0.000 1.341 747 I HN 0.007 nan 8.210 nan 0.000 0.455 748 Y N 5.228 125.598 120.300 0.117 0.000 2.620 748 Y HA 0.193 4.743 4.550 -0.000 0.000 0.330 748 Y C 0.258 176.176 175.900 0.030 0.000 1.186 748 Y CA 0.253 58.414 58.100 0.102 0.000 1.467 748 Y CB -0.177 38.305 38.460 0.036 0.000 1.262 748 Y HN 0.482 nan 8.280 nan 0.000 0.550 749 H N -0.032 119.095 119.070 0.095 0.000 2.797 749 H HA 0.787 5.343 4.556 -0.000 0.000 0.372 749 H C -1.093 174.258 175.328 0.039 0.000 1.168 749 H CA -0.907 55.169 56.048 0.048 0.000 1.163 749 H CB 1.722 31.502 29.762 0.030 0.000 1.778 749 H HN 0.307 nan 8.280 nan 0.000 0.551 750 V N 2.007 122.011 119.914 0.151 0.000 2.841 750 V HA 0.209 4.329 4.120 -0.000 0.000 0.310 750 V C -0.126 176.059 176.094 0.151 0.000 1.090 750 V CA -0.893 61.502 62.300 0.157 0.000 0.930 750 V CB 2.220 34.180 31.823 0.229 0.000 1.014 750 V HN 0.714 nan 8.190 nan 0.000 0.425 751 M N 3.625 123.306 119.600 0.135 0.000 2.227 751 M HA 0.318 4.798 4.480 -0.000 0.000 0.349 751 M C -0.850 175.526 176.300 0.126 0.000 1.443 751 M CA 0.409 55.774 55.300 0.107 0.000 1.110 751 M CB -0.060 32.586 32.600 0.076 0.000 1.773 751 M HN 0.807 nan 8.290 nan 0.000 0.463 752 C N 3.496 122.864 119.300 0.113 0.000 2.614 752 C HA 0.561 5.021 4.460 -0.000 0.000 0.320 752 C C -0.094 174.939 174.990 0.072 0.000 1.200 752 C CA -1.235 57.855 59.018 0.122 0.000 1.700 752 C CB 1.688 29.518 27.740 0.151 0.000 2.275 752 C HN 0.650 nan 8.230 nan 0.000 0.492 753 V N 2.998 122.948 119.914 0.060 0.000 2.694 753 V HA 0.012 4.132 4.120 -0.000 0.000 0.306 753 V C 0.767 176.882 176.094 0.035 0.000 1.054 753 V CA 0.377 62.698 62.300 0.035 0.000 1.161 753 V CB -0.055 31.785 31.823 0.028 0.000 0.916 753 V HN 0.755 nan 8.190 nan 0.000 0.490 754 K N 2.802 123.215 120.400 0.022 0.000 2.485 754 K HA 0.311 4.631 4.320 -0.000 0.000 0.277 754 K C 0.587 177.200 176.600 0.021 0.000 0.990 754 K CA 0.145 56.444 56.287 0.020 0.000 0.994 754 K CB 0.566 33.072 32.500 0.011 0.000 0.906 754 K HN 0.886 nan 8.250 nan 0.000 0.488 755 A N 0.000 122.833 122.820 0.021 0.000 2.254 755 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 755 A CA 0.000 52.049 52.037 0.020 0.000 0.836 755 A CB 0.000 19.011 19.000 0.018 0.000 0.831 755 A HN 0.000 nan 8.150 nan 0.000 0.486